NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
617744 |
5l7m   |
34005 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: x13_noe.tbl assign (resid 1 and name HA ) (resid 2 and name HN ) 2.58 0.52 0.78 !peak 1 #SUP 0.51 #QF 0.51 assign (resid 1 and name HB ) (resid 2 and name HN ) 3.89 1.40 2.09 !peak 3 #SUP 1.00 assign (resid 2 and name HA ) (resid 3 and name HN ) 2.68 0.59 0.89 !peak 5 #SUP 0.77 #QF 0.77 assign (resid 3 and name HN ) (resid 3 and name HB2 ) 3.20 0.93 1.39 !peak 8 #SUP 0.90 #QF 0.90 assign (resid 3 and name HN ) (resid 3 and name HB1 ) 3.20 0.93 1.39 !peak 9 #SUP 0.99 #QF 0.99 assign (resid 3 and name HA ) (resid 4 and name HN ) 2.62 0.55 0.82 !peak 12 #SUP 0.82 #QF 0.82 assign (resid 3 and name HB1 ) (resid 4 and name HN ) 3.56 1.17 1.76 !peak 14 #SUP 0.98 #QF 0.98 assign (resid 3 and name HB2 ) (resid 4 and name HN ) 3.56 1.17 1.76 !peak 15 #SUP 0.99 #QF 0.99 assign (resid 4 and name HN ) (resid 4 and name HB* ) 2.71 0.61 0.91 !peak 16 #SUP 1.00 assign (resid 6 and name HD* ) (resid 7 and name HN ) 3.82 1.35 2.02 !peak 19 #SUP 0.98 #QF 0.98 assign (resid 6 and name HB2 ) (resid 7 and name HN ) 4.14 1.56 2.34 !peak 21 #SUP 0.95 #QF 0.95 assign (resid 6 and name HB1 ) (resid 7 and name HN ) 4.14 1.56 2.34 !peak 22 #SUP 1.00 assign (resid 7 and name HN ) (resid 7 and name HG2* ) 3.42 1.08 1.62 !peak 23 #SUP 0.93 #QF 0.93 assign (resid 7 and name HG2* ) (resid 8 and name HN ) 4.00 1.47 2.20 !peak 26 #SUP 0.99 #QF 0.99 assign (resid 7 and name HB ) (resid 8 and name HN ) 4.06 1.50 2.26 !peak 27 #SUP 1.00 assign (resid 9 and name HN ) (resid 9 and name HB2 ) 3.44 1.10 1.64 !peak 31 #SUP 0.82 #QF 0.82 assign (resid 9 and name HN ) (resid 9 and name HB1 ) 3.44 1.10 1.64 !peak 32 #SUP 1.00 assign (resid 10 and name HN ) (resid 11 and name HN ) 3.97 1.45 2.17 !peak 34 #SUP 1.00 assign (resid 75 and name HA ) (resid 76 and name HN ) 2.98 0.79 1.18 !peak 2 #SUP 0.91 #QF 0.59 assign (resid 76 and name HA ) (resid 77 and name HN ) 3.12 0.88 1.32 !peak 3 #SUP 0.97 #QF 0.97 assign (resid 78 and name HA ) (resid 79 and name HN ) 2.52 0.48 0.72 !peak 5 #SUP 0.45 #QF 0.45 assign (resid 79 and name HN ) (resid 79 and name HG2 ) 4.56 1.84 2.76 !peak 7 #SUP 1.00 #QF 0.89 assign (resid 79 and name HN ) (resid 79 and name HG1 ) 4.56 1.84 2.76 !peak 7 #SUP 1.00 #QF 0.89 assign (resid 79 and name HA ) (resid 80 and name HN ) 2.50 0.46 0.70 !peak 10 #SUP 0.65 #QF 0.65 assign (resid 79 and name HB1 ) (resid 80 and name HN ) 4.01 1.48 2.21 !peak 11 #SUP 0.84 #QF 0.84 assign (resid 79 and name HB2 ) (resid 80 and name HN ) 4.01 1.48 2.21 !peak 12 #SUP 0.71 #QF 0.71 assign (resid 80 and name HN ) (resid 80 and name HB* ) 2.81 0.67 1.01 !peak 13 #SUP 0.98 #QF 0.98 assign (resid 81 and name HA ) (resid 82 and name HN ) 2.48 0.46 0.68 !peak 14 #SUP 0.47 #QF 0.47 assign (resid 82 and name HN ) (resid 82 and name HB ) 3.19 0.92 1.39 !peak 16 #SUP 0.89 #QF 0.89 assign (resid 81 and name HB2 ) (resid 82 and name HN ) 3.70 1.27 1.91 !peak 17 #SUP 0.97 #QF 0.97 assign (resid 81 and name HB1 ) (resid 82 and name HN ) 3.70 1.27 1.91 !peak 18 #SUP 0.97 #QF 0.97 assign (resid 82 and name HA ) (resid 83 and name HN ) 2.72 0.62 0.92 !peak 20 #SUP 0.55 #QF 0.55 assign (resid 83 and name HA ) (resid 84 and name HN ) 2.78 0.65 0.98 !peak 21 #SUP 0.60 #QF 0.60 assign (resid 84 and name HA ) (resid 85 and name HN ) 2.95 0.77 1.15 !peak 25 #SUP 0.95 #QF 0.68 assign (resid 85 and name HN ) (resid 85 and name HG2 ) 4.36 1.71 2.56 !peak 28 #SUP 0.86 #QF 0.71 assign (resid 85 and name HN ) (resid 85 and name HG1 ) 4.36 1.71 2.56 !peak 28 #SUP 0.86 #QF 0.71 assign (resid 85 and name HA ) (resid 86 and name HN ) 2.90 0.73 1.10 !peak 29 #SUP 0.95 #QF 0.67 assign (resid 86 and name HA ) (resid 87 and name HN ) 3.08 0.86 1.28 !peak 32 #SUP 1.00 #QF 0.45 assign (resid 74 and name HA ) (resid 75 and name HN ) 2.85 0.70 1.05 !peak 37 #SUP 0.81 #QF 0.81 assign (resid 74 and name HB2 ) (resid 75 and name HN ) 4.41 1.74 2.61 !peak 38 #SUP 1.00 #QF 0.99 assign (resid 74 and name HB1 ) (resid 75 and name HN ) 4.41 1.74 2.61 !peak 38 #SUP 1.00 #QF 0.99 assign (resid 11 and name HN ) (resid 12 and name HN ) 3.98 1.46 2.18 !peak 39 #SUP 0.86 #QF 0.86 assign (resid 10 and name HA ) (resid 11 and name HN ) 2.89 0.73 1.09 !peak 40 #SUP 0.77 #QF 0.62 assign (resid 11 and name HN ) (resid 11 and name HB2 ) 3.25 0.96 1.45 !peak 42 #SUP 0.98 #QF 0.98 assign (resid 11 and name HN ) (resid 11 and name HB1 ) 3.25 0.96 1.45 !peak 44 #SUP 0.74 #QF 0.74 assign (resid 10 and name HB1 ) (resid 11 and name HN ) 3.16 0.90 1.36 !peak 46 #SUP 0.94 #QF 0.94 assign (resid 12 and name HN ) (resid 13 and name HN ) 3.93 1.42 2.13 !peak 48 #SUP 0.96 #QF 0.96 assign (resid 11 and name HA ) (resid 12 and name HN ) 3.05 0.84 1.25 !peak 49 #SUP 0.96 #QF 0.96 assign (resid 11 and name HB2 ) (resid 12 and name HN ) 3.74 1.29 1.94 !peak 51 #SUP 0.96 #QF 0.96 assign (resid 11 and name HB1 ) (resid 12 and name HN ) 3.74 1.29 1.94 !peak 52 #SUP 0.96 #QF 0.96 assign (resid 13 and name HN ) (resid 13 and name HB1 ) 3.33 1.02 1.53 !peak 57 #SUP 0.89 #QF 0.89 assign (resid 13 and name HN ) (resid 13 and name HB2 ) 3.33 1.02 1.53 !peak 58 #SUP 0.98 #QF 0.98 assign (resid 15 and name HA1 ) (resid 16 and name HN ) 2.93 0.75 1.13 !peak 64 #SUP 0.87 #QF 0.87 assign (resid 15 and name HA2 ) (resid 16 and name HN ) 2.93 0.75 1.13 !peak 65 #SUP 0.90 #QF 0.90 assign (resid 16 and name HN ) (resid 16 and name HB ) 3.41 1.07 1.61 !peak 67 #SUP 0.97 #QF 0.97 assign (resid 16 and name HN ) (resid 17 and name HN ) 3.85 1.37 2.05 !peak 68 #SUP 0.97 #QF 0.97 assign (resid 16 and name HA ) (resid 17 and name HN ) 2.93 0.75 1.13 !peak 69 #SUP 0.93 #QF 0.93 assign (resid 17 and name HN ) (resid 55 and name HA ) 3.82 1.35 2.03 !peak 70 #SUP 0.58 #QF 0.58 assign (resid 17 and name HN ) (resid 17 and name HB ) 3.27 0.98 1.47 !peak 76 #SUP 0.93 #QF 0.93 assign (resid 18 and name HN ) (resid 19 and name HN ) 3.76 1.31 1.96 !peak 79 #SUP 0.98 #QF 0.98 assign (resid 17 and name HA ) (resid 19 and name HN ) 3.69 1.26 1.89 !peak 80 #SUP 0.99 #QF 0.99 assign (resid 19 and name HN ) (resid 19 and name HB ) 3.16 0.91 1.36 !peak 82 #SUP 0.73 #QF 0.73 assign (resid 18 and name HB2 ) (resid 19 and name HN ) 4.10 1.53 2.30 !peak 83 #SUP 0.89 #QF 0.64 assign (resid 18 and name HB1 ) (resid 19 and name HN ) 4.10 1.53 2.30 !peak 83 #SUP 0.89 #QF 0.64 assign (resid 17 and name HG11 ) (resid 19 and name HN ) 4.07 1.52 2.27 !peak 85 #SUP 0.92 #QF 0.92 assign (resid 19 and name HN ) (resid 19 and name HG2* ) 3.53 1.15 1.72 !peak 86 #SUP 1.00 assign (resid 17 and name HD1* ) (resid 19 and name HN ) 3.40 1.07 1.60 !peak 88 #SUP 1.00 assign (resid 19 and name HN ) (resid 20 and name HN ) 3.84 1.36 2.04 !peak 89 #SUP 0.96 #QF 0.96 assign (resid 19 and name HA ) (resid 20 and name HN ) 2.83 0.69 1.03 !peak 90 #SUP 0.83 #QF 0.83 assign (resid 19 and name HB ) (resid 20 and name HN ) 3.84 1.36 2.04 !peak 91 #SUP 0.99 #QF 0.99 assign (resid 18 and name HA ) (resid 20 and name HN ) 4.72 1.94 2.92 !peak 92 #SUP 0.90 #QF 0.90 assign (resid 20 and name HN ) (resid 20 and name HB ) 3.32 1.02 1.52 !peak 94 #SUP 0.94 #QF 0.94 assign (resid 19 and name HG2* ) (resid 20 and name HN ) 3.72 1.28 1.92 !peak 95 #SUP 0.94 #QF 0.94 assign (resid 20 and name HN ) (resid 20 and name HG2* ) 3.86 1.37 2.05 !peak 96 #SUP 0.95 #QF 0.95 assign (resid 20 and name HN ) (resid 20 and name HG1* ) 3.86 1.37 2.05 !peak 97 #SUP 0.94 #QF 0.94 assign (resid 21 and name HA ) (resid 22 and name HN ) 2.58 0.52 0.78 !peak 98 #SUP 0.93 #QF 0.73 assign (resid 21 and name HB ) (resid 22 and name HN ) 3.53 1.15 1.73 !peak 100 #SUP 0.95 #QF 0.95 assign (resid 21 and name HG2* ) (resid 22 and name HN ) 3.68 1.25 1.88 !peak 102 #SUP 0.95 #QF 0.95 assign (resid 22 and name HN ) (resid 25 and name HD1* ) 3.19 0.92 1.39 !peak 103 #SUP 0.96 #QF 0.96 assign (resid 23 and name HN ) (resid 23 and name HB2 ) 3.22 0.95 1.43 !peak 104 #SUP 0.98 #QF 0.98 assign (resid 23 and name HN ) (resid 23 and name HG ) 3.69 1.26 1.89 !peak 105 #SUP 0.68 #QF 0.68 assign (resid 22 and name HA1 ) (resid 24 and name HN ) 3.67 1.25 1.87 !peak 109 #SUP 0.99 #QF 0.62 assign (resid 22 and name HA2 ) (resid 24 and name HN ) 3.67 1.25 1.87 !peak 110 #SUP 0.75 #QF 0.75 assign (resid 24 and name HN ) (resid 25 and name HG2* ) 3.66 1.24 1.86 !peak 113 #SUP 0.93 #QF 0.93 assign (resid 24 and name HN ) (resid 26 and name HG11 ) 4.95 2.10 3.15 !peak 114 #SUP 0.91 #QF 0.81 assign (resid 24 and name HN ) (resid 24 and name HB2 ) 2.95 0.77 1.15 !peak 115 #SUP 0.74 #QF 0.74 assign (resid 24 and name HN ) (resid 24 and name HB1 ) 2.95 0.77 1.15 !peak 116 #SUP 0.59 #QF 0.59 assign (resid 25 and name HN ) (resid 26 and name HG12 ) 3.86 1.38 2.06 !peak 119 #SUP 0.86 #QF 0.86 assign (resid 25 and name HN ) (resid 25 and name HG11 ) 3.61 1.21 1.82 !peak 121 #SUP 0.98 #QF 0.98 assign (resid 23 and name HA ) (resid 26 and name HN ) 3.81 1.34 2.01 !peak 125 #SUP 0.87 #QF 0.87 assign (resid 26 and name HN ) (resid 26 and name HG12 ) 3.22 0.94 1.42 !peak 127 #SUP 0.96 #QF 0.96 assign (resid 26 and name HN ) (resid 26 and name HB ) 3.13 0.89 1.34 !peak 128 #SUP 0.96 #QF 0.96 assign (resid 26 and name HN ) (resid 26 and name HD1* ) 3.34 1.03 1.55 !peak 129 #SUP 0.92 #QF 0.92 assign (resid 26 and name HN ) (resid 26 and name HG2* ) 3.61 1.21 1.81 !peak 130 #SUP 0.99 #QF 0.63 assign (resid 26 and name HN ) (resid 26 and name HG11 ) 3.88 1.39 2.09 !peak 130 #SUP 0.99 #QF 0.63 assign (resid 27 and name HN ) (resid 47 and name HA ) 3.43 1.09 1.63 !peak 132 #SUP 0.63 #QF 0.63 assign (resid 26 and name HA ) (resid 27 and name HN ) 3.09 0.86 1.29 !peak 134 #SUP 0.94 #QF 0.94 assign (resid 27 and name HN ) (resid 27 and name HB1 ) 3.55 1.17 1.76 !peak 135 #SUP 0.99 #QF 0.99 assign (resid 26 and name HD1* ) (resid 27 and name HN ) 3.53 1.15 1.73 !peak 138 #SUP 0.61 #QF 0.61 assign (resid 27 and name HB1 ) (resid 28 and name HN ) 3.28 0.99 1.49 !peak 139 #SUP 0.89 #QF 0.89 assign (resid 28 and name HN ) (resid 46 and name HB1 ) 3.99 1.46 2.19 !peak 140 #SUP 0.78 #QF 0.78 assign (resid 28 and name HN ) (resid 46 and name HB2 ) 3.99 1.46 2.19 !peak 141 #SUP 0.75 #QF 0.75 assign (resid 27 and name HB2 ) (resid 28 and name HN ) 3.68 1.25 1.88 !peak 144 #SUP 0.97 #QF 0.97 assign (resid 26 and name HG2* ) (resid 28 and name HN ) 3.43 1.09 1.63 !peak 146 #SUP 0.87 #QF 0.87 assign (resid 28 and name HA ) (resid 29 and name HN ) 3.10 0.87 1.30 !peak 147 #SUP 0.97 #QF 0.97 assign (resid 29 and name HN ) (resid 29 and name HB ) 3.28 0.99 1.49 !peak 148 #SUP 0.85 #QF 0.85 assign (resid 28 and name HG2 ) (resid 29 and name HN ) 4.35 1.70 2.55 !peak 150 #SUP 0.91 #QF 0.77 assign (resid 28 and name HG1 ) (resid 29 and name HN ) 4.35 1.70 2.55 !peak 150 #SUP 0.91 #QF 0.77 assign (resid 29 and name HN ) (resid 29 and name HG2* ) 3.74 1.29 1.94 !peak 151 #SUP 1.00 #QF 0.99 assign (resid 29 and name HN ) (resid 29 and name HD1* ) 4.00 1.47 2.20 !peak 151 #SUP 1.00 #QF 0.99 assign (resid 29 and name HN ) (resid 30 and name HN ) 4.20 1.60 2.40 !peak 153 #SUP 1.00 #QF 0.98 assign (resid 29 and name HA ) (resid 30 and name HN ) 3.01 0.81 1.22 !peak 155 #SUP 0.96 #QF 0.96 assign (resid 29 and name HB ) (resid 30 and name HN ) 3.94 1.42 2.14 !peak 159 #SUP 0.99 #QF 0.97 assign (resid 29 and name HG2* ) (resid 30 and name HN ) 3.44 1.10 1.64 !peak 160 #SUP 0.97 #QF 0.97 assign (resid 30 and name HA ) (resid 31 and name HN ) 2.97 0.78 1.17 !peak 161 #SUP 0.98 #QF 0.71 assign (resid 31 and name HN ) (resid 31 and name HB ) 3.34 1.02 1.54 !peak 162 #SUP 0.86 #QF 0.86 assign (resid 31 and name HN ) (resid 31 and name HG2* ) 4.50 1.80 2.70 !peak 163 #SUP 0.96 #QF 0.96 assign (resid 31 and name HN ) (resid 31 and name HG1* ) 4.50 1.80 2.70 !peak 164 #SUP 0.95 #QF 0.76 assign (resid 31 and name HA ) (resid 32 and name HN ) 2.97 0.78 1.17 !peak 167 #SUP 0.76 #QF 0.76 assign (resid 32 and name HN ) (resid 32 and name HB ) 3.49 1.13 1.69 !peak 169 #SUP 0.97 #QF 0.97 assign (resid 31 and name HB ) (resid 32 and name HN ) 4.02 1.48 2.22 !peak 170 #SUP 1.00 assign (resid 32 and name HN ) (resid 32 and name HG2* ) 3.87 1.38 2.07 !peak 171 #SUP 0.96 #QF 0.96 assign (resid 32 and name HN ) (resid 41 and name HG2* ) 3.89 1.40 2.09 !peak 172 #SUP 0.75 #QF 0.75 assign (resid 34 and name HA ) (resid 35 and name HN ) 2.57 0.52 0.77 !peak 175 #SUP 0.86 #QF 0.86 assign (resid 34 and name HB2 ) (resid 35 and name HN ) 3.29 1.00 1.49 !peak 178 #SUP 0.93 #QF 0.93 assign (resid 34 and name HB1 ) (resid 35 and name HN ) 3.29 1.00 1.49 !peak 179 #SUP 0.99 #QF 0.99 assign (resid 35 and name HN ) (resid 38 and name HN ) 3.68 1.25 1.88 !peak 186 #SUP 0.69 #QF 0.69 assign (resid 37 and name HN ) (resid 38 and name HN ) 3.53 1.15 1.72 !peak 187 #SUP 0.67 #QF 0.67 assign (resid 40 and name HN ) (resid 41 and name HN ) 3.81 1.34 2.01 !peak 191 #SUP 0.64 #QF 0.64 assign (resid 34 and name HA ) (resid 40 and name HN ) 4.22 1.61 2.41 !peak 192 #SUP 0.29 #QF 0.29 assign (resid 40 and name HN ) (resid 41 and name HA ) 4.90 2.06 3.10 !peak 193 #SUP 0.73 #QF 0.24 assign (resid 40 and name HN ) (resid 40 and name HB2 ) 3.41 1.08 1.61 !peak 195 #SUP 0.97 #QF 0.97 assign (resid 40 and name HN ) (resid 40 and name HB1 ) 3.41 1.08 1.61 !peak 196 #SUP 0.83 #QF 0.83 assign (resid 41 and name HN ) (resid 41 and name HB ) 2.96 0.77 1.16 !peak 199 #SUP 0.61 #QF 0.61 assign (resid 40 and name HA ) (resid 41 and name HN ) 2.70 0.60 0.90 !peak 200 #SUP 0.72 #QF 0.72 assign (resid 32 and name HN ) (resid 42 and name HN ) 3.98 1.46 2.18 !peak 204 #SUP 0.94 #QF 0.94 assign (resid 32 and name HB ) (resid 42 and name HN ) 3.87 1.38 2.07 !peak 206 #SUP 0.49 #QF 0.49 assign (resid 41 and name HG2* ) (resid 42 and name HN ) 3.46 1.11 1.66 !peak 209 #SUP 0.97 #QF 0.97 assign (resid 43 and name HN ) (resid 43 and name HB ) 3.03 0.82 1.23 !peak 211 #SUP 0.86 #QF 0.86 assign (resid 43 and name HN ) (resid 43 and name HG2* ) 3.16 0.91 1.36 !peak 214 #SUP 0.94 #QF 0.94 assign (resid 43 and name HN ) (resid 43 and name HG1* ) 3.49 1.13 1.69 !peak 215 #SUP 0.94 #QF 0.94 assign (resid 30 and name HN ) (resid 44 and name HN ) 3.89 1.40 2.09 !peak 216 #SUP 0.88 #QF 0.88 assign (resid 43 and name HA ) (resid 44 and name HN ) 3.04 0.83 1.24 !peak 217 #SUP 0.78 #QF 0.78 assign (resid 44 and name HN ) (resid 44 and name HB ) 3.45 1.10 1.65 !peak 219 #SUP 0.99 #QF 0.99 assign (resid 43 and name HG1* ) (resid 44 and name HN ) 3.37 1.05 1.57 !peak 222 #SUP 0.99 #QF 0.99 assign (resid 45 and name HN ) (resid 54 and name HA ) 4.00 1.46 2.20 !peak 224 #SUP 0.53 #QF 0.53 assign (resid 44 and name HA ) (resid 45 and name HN ) 3.00 0.80 1.20 !peak 225 #SUP 0.90 #QF 0.90 assign (resid 45 and name HN ) (resid 45 and name HB ) 3.38 1.05 1.58 !peak 226 #SUP 0.95 #QF 0.21 assign (resid 45 and name HN ) (resid 45 and name HG2* ) 3.96 1.44 2.16 !peak 229 #SUP 0.99 #QF 0.98 assign (resid 45 and name HN ) (resid 45 and name HD1* ) 4.25 1.63 2.45 !peak 229 #SUP 0.99 #QF 0.98 assign (resid 45 and name HA ) (resid 46 and name HN ) 3.09 0.86 1.29 !peak 234 #SUP 0.97 #QF 0.97 assign (resid 45 and name HB ) (resid 46 and name HN ) 4.32 1.68 2.52 !peak 237 #SUP 0.98 #QF 0.25 assign (resid 45 and name HG2* ) (resid 46 and name HN ) 3.41 1.08 1.61 !peak 238 #SUP 0.82 #QF 0.82 assign (resid 46 and name HE1 ) (resid 52 and name HG1* ) 3.29 1.00 1.49 !peak 242 #SUP 0.91 #QF 0.91 assign (resid 46 and name HA ) (resid 47 and name HN ) 2.81 0.67 1.01 !peak 245 #SUP 0.76 #QF 0.76 assign (resid 47 and name HN ) (resid 52 and name HA ) 3.79 1.33 1.99 !peak 246 #SUP 0.39 #QF 0.39 assign (resid 47 and name HN ) (resid 47 and name HG2* ) 3.07 0.85 1.27 !peak 248 #SUP 0.89 #QF 0.89 assign (resid 45 and name HG2* ) (resid 47 and name HN ) 3.85 1.37 2.05 !peak 249 #SUP 0.89 #QF 0.89 assign (resid 48 and name HN ) (resid 49 and name HN ) 3.33 1.02 1.53 !peak 250 #SUP 1.00 assign (resid 47 and name HG1 ) (resid 48 and name HN ) 3.77 1.31 1.97 !peak 251 #SUP 0.94 #QF 0.94 assign (resid 47 and name HA ) (resid 48 and name HN ) 3.07 0.85 1.28 !peak 252 #SUP 0.98 #QF 0.98 assign (resid 47 and name HB ) (resid 48 and name HN ) 2.88 0.72 1.08 !peak 253 #SUP 0.92 #QF 0.92 assign (resid 25 and name HB ) (resid 48 and name HN ) 3.44 1.10 1.64 !peak 255 #SUP 0.97 #QF 0.89 assign (resid 27 and name HB2 ) (resid 48 and name HN ) 3.82 1.35 2.03 !peak 255 #SUP 0.97 #QF 0.89 assign (resid 48 and name HN ) (resid 48 and name HB1 ) 3.28 0.98 1.48 !peak 256 #SUP 1.00 assign (resid 48 and name HN ) (resid 48 and name HB2 ) 3.28 0.98 1.48 !peak 257 #SUP 0.78 #QF 0.78 assign (resid 48 and name HN ) (resid 48 and name HG1 ) 3.49 1.13 1.69 !peak 258 #SUP 1.00 assign (resid 48 and name HN ) (resid 48 and name HG2 ) 3.49 1.13 1.69 !peak 259 #SUP 0.83 #QF 0.83 assign (resid 25 and name HD1* ) (resid 48 and name HN ) 3.58 1.19 1.78 !peak 261 #SUP 0.96 #QF 0.96 assign (resid 49 and name HN ) (resid 51 and name HN ) 3.64 1.23 1.85 !peak 263 #SUP 0.62 #QF 0.62 assign (resid 47 and name HG1 ) (resid 49 and name HN ) 3.07 0.85 1.28 !peak 266 #SUP 0.92 #QF 0.92 assign (resid 49 and name HN ) (resid 50 and name HA ) 4.16 1.58 2.36 !peak 270 #SUP 0.98 #QF 0.98 assign (resid 49 and name HN ) (resid 49 and name HG1 ) 3.49 1.13 1.70 !peak 271 #SUP 1.00 assign (resid 49 and name HN ) (resid 49 and name HG2 ) 3.49 1.13 1.70 !peak 272 #SUP 0.99 #QF 0.99 assign (resid 49 and name HN ) (resid 49 and name HB1 ) 3.26 0.98 1.46 !peak 273 #SUP 1.00 assign (resid 49 and name HN ) (resid 49 and name HE* ) 4.20 1.60 2.40 !peak 274 #SUP 1.00 #QF 0.99 assign (resid 49 and name HN ) (resid 49 and name HB2 ) 3.26 0.98 1.46 !peak 275 #SUP 0.98 #QF 0.98 assign (resid 49 and name HN ) (resid 51 and name HB2 ) 4.31 1.67 2.51 !peak 276 #SUP 0.87 #QF 0.21 assign (resid 49 and name HN ) (resid 51 and name HB1 ) 4.31 1.67 2.51 !peak 276 #SUP 0.87 #QF 0.21 assign (resid 47 and name HG2* ) (resid 49 and name HN ) 3.64 1.23 1.84 !peak 279 #SUP 0.88 #QF 0.88 assign (resid 25 and name HD1* ) (resid 49 and name HN ) 4.35 1.70 2.55 !peak 280 #SUP 0.88 #QF 0.88 assign (resid 49 and name HN ) (resid 50 and name HN ) 2.94 0.76 1.14 !peak 281 #SUP 0.99 #QF 0.99 assign (resid 50 and name HN ) (resid 51 and name HN ) 2.83 0.69 1.03 !peak 282 #SUP 0.92 #QF 0.92 assign (resid 48 and name HN ) (resid 50 and name HN ) 3.76 1.31 1.96 !peak 283 #SUP 0.97 #QF 0.97 assign (resid 47 and name HN ) (resid 50 and name HN ) 4.18 1.59 2.39 !peak 284 #SUP 0.92 #QF 0.92 assign (resid 47 and name HG1 ) (resid 50 and name HN ) 3.75 1.30 1.95 !peak 285 #SUP 0.93 #QF 0.93 assign (resid 49 and name HA ) (resid 50 and name HN ) 3.05 0.84 1.25 !peak 286 #SUP 0.95 #QF 0.95 assign (resid 48 and name HA ) (resid 50 and name HN ) 3.42 1.08 1.62 !peak 287 #SUP 0.87 #QF 0.87 assign (resid 50 and name HN ) (resid 50 and name HA ) 2.53 0.48 0.73 !peak 288 #SUP 0.94 #QF 0.94 assign (resid 49 and name HB1 ) (resid 50 and name HN ) 3.93 1.42 2.13 !peak 290 #SUP 0.99 #QF 0.99 assign (resid 50 and name HN ) (resid 50 and name HB1 ) 3.56 1.17 1.76 !peak 291 #SUP 0.99 #QF 0.99 assign (resid 50 and name HN ) (resid 50 and name HB2 ) 3.56 1.17 1.76 !peak 292 #SUP 0.98 #QF 0.98 assign (resid 49 and name HB2 ) (resid 50 and name HN ) 3.93 1.42 2.13 !peak 293 #SUP 0.82 #QF 0.82 assign (resid 50 and name HN ) (resid 50 and name HD2 ) 3.97 1.44 2.17 !peak 294 #SUP 0.94 #QF 0.62 assign (resid 50 and name HN ) (resid 50 and name HD1 ) 3.97 1.44 2.17 !peak 294 #SUP 0.94 #QF 0.62 assign (resid 50 and name HN ) (resid 50 and name HG2 ) 4.16 1.58 2.36 !peak 295 #SUP 0.99 #QF 0.87 assign (resid 50 and name HN ) (resid 50 and name HG1 ) 4.16 1.58 2.36 !peak 295 #SUP 0.99 #QF 0.87 assign (resid 47 and name HG2* ) (resid 50 and name HN ) 4.55 1.83 2.74 !peak 296 #SUP 0.65 #QF 0.65 assign (resid 47 and name HN ) (resid 51 and name HN ) 3.40 1.07 1.60 !peak 297 #SUP 0.95 #QF 0.95 assign (resid 47 and name HG1 ) (resid 51 and name HN ) 3.61 1.21 1.82 !peak 299 #SUP 0.92 #QF 0.92 assign (resid 49 and name HA ) (resid 51 and name HN ) 4.00 1.46 2.20 !peak 300 #SUP 0.57 #QF 0.57 assign (resid 50 and name HA ) (resid 51 and name HN ) 3.13 0.88 1.33 !peak 302 #SUP 0.96 #QF 0.96 assign (resid 51 and name HN ) (resid 51 and name HB2 ) 3.34 1.02 1.54 !peak 303 #SUP 0.93 #QF 0.66 assign (resid 51 and name HN ) (resid 51 and name HB1 ) 3.34 1.02 1.54 !peak 303 #SUP 0.93 #QF 0.66 assign (resid 47 and name HG2* ) (resid 51 and name HN ) 3.50 1.13 1.70 !peak 306 #SUP 0.76 #QF 0.76 assign (resid 46 and name HA ) (resid 51 and name HN ) 4.39 1.73 2.60 !peak 307 #SUP 0.95 #QF 0.57 assign (resid 47 and name HA ) (resid 51 and name HN ) 4.78 1.98 2.98 !peak 307 #SUP 0.95 #QF 0.57 assign (resid 51 and name HD1 ) (resid 52 and name HN ) 4.10 1.53 2.30 !peak 308 #SUP 0.97 #QF 0.51 assign (resid 52 and name HN ) (resid 52 and name HB ) 3.13 0.88 1.33 !peak 309 #SUP 0.97 #QF 0.97 assign (resid 51 and name HG1 ) (resid 52 and name HN ) 3.91 1.40 2.11 !peak 310 #SUP 0.95 #QF 0.95 assign (resid 51 and name HG2 ) (resid 52 and name HN ) 3.91 1.40 2.11 !peak 311 #SUP 0.79 #QF 0.79 assign (resid 52 and name HN ) (resid 52 and name HG1* ) 3.36 1.04 1.56 !peak 312 #SUP 0.98 #QF 0.98 assign (resid 52 and name HN ) (resid 52 and name HG2* ) 3.75 1.30 1.95 !peak 313 #SUP 0.96 #QF 0.96 assign (resid 52 and name HA ) (resid 53 and name HN ) 2.94 0.76 1.14 !peak 314 #SUP 0.85 #QF 0.85 assign (resid 45 and name HB ) (resid 53 and name HN ) 3.80 1.33 2.00 !peak 316 #SUP 0.43 #QF 0.43 assign (resid 52 and name HB ) (resid 53 and name HN ) 3.91 1.40 2.11 !peak 318 #SUP 0.84 #QF 0.84 assign (resid 53 and name HN ) (resid 53 and name HG11 ) 3.82 1.35 2.02 !peak 319 #SUP 0.83 #QF 0.83 assign (resid 53 and name HN ) (resid 53 and name HG12 ) 3.82 1.35 2.02 !peak 320 #SUP 0.75 #QF 0.75 assign (resid 52 and name HG1* ) (resid 53 and name HN ) 3.89 1.40 2.09 !peak 322 #SUP 0.90 #QF 0.90 assign (resid 53 and name HA ) (resid 54 and name HN ) 2.86 0.71 1.06 !peak 325 #SUP 0.76 #QF 0.76 assign (resid 54 and name HN ) (resid 54 and name HB1 ) 3.53 1.15 1.73 !peak 326 #SUP 0.95 #QF 0.95 assign (resid 54 and name HN ) (resid 54 and name HB2 ) 3.53 1.15 1.73 !peak 327 #SUP 0.81 #QF 0.81 assign (resid 53 and name HB ) (resid 54 and name HN ) 3.80 1.33 1.99 !peak 328 #SUP 0.94 #QF 0.94 assign (resid 54 and name HA ) (resid 55 and name HN ) 3.00 0.80 1.20 !peak 330 #SUP 0.93 #QF 0.93 assign (resid 54 and name HB1 ) (resid 55 and name HN ) 3.78 1.32 1.98 !peak 331 #SUP 0.94 #QF 0.94 assign (resid 54 and name HB2 ) (resid 55 and name HN ) 3.78 1.32 1.98 !peak 332 #SUP 0.63 #QF 0.63 assign (resid 43 and name HB ) (resid 55 and name HN ) 3.62 1.21 1.82 !peak 333 #SUP 0.68 #QF 0.68 assign (resid 55 and name HN ) (resid 55 and name HB ) 3.54 1.16 1.74 !peak 334 #SUP 0.99 #QF 0.99 assign (resid 55 and name HA ) (resid 56 and name HN ) 3.01 0.81 1.21 !peak 336 #SUP 0.97 #QF 0.97 assign (resid 56 and name HN ) (resid 56 and name HB1 ) 3.21 0.94 1.41 !peak 338 #SUP 0.94 #QF 0.94 assign (resid 56 and name HN ) (resid 56 and name HB2 ) 3.21 0.94 1.41 !peak 339 #SUP 0.93 #QF 0.93 assign (resid 55 and name HB ) (resid 56 and name HN ) 3.30 1.00 1.50 !peak 340 #SUP 0.93 #QF 0.93 assign (resid 43 and name HB ) (resid 56 and name HN ) 4.55 1.83 2.75 !peak 341 #SUP 0.87 #QF 0.87 assign (resid 55 and name HG1* ) (resid 56 and name HN ) 3.39 1.06 1.59 !peak 342 #SUP 0.96 #QF 0.96 assign (resid 55 and name HG2* ) (resid 56 and name HN ) 3.39 1.06 1.59 !peak 343 #SUP 0.97 #QF 0.97 assign (resid 58 and name HN ) (resid 59 and name HN ) 3.02 0.82 1.22 !peak 344 #SUP 0.90 #QF 0.90 assign (resid 58 and name HN ) (resid 58 and name HB1 ) 3.47 1.12 1.67 !peak 348 #SUP 0.99 #QF 0.99 assign (resid 58 and name HN ) (resid 58 and name HB2 ) 3.47 1.12 1.67 !peak 350 #SUP 0.83 #QF 0.77 assign (resid 58 and name HN ) (resid 58 and name HG1 ) 3.49 1.13 1.70 !peak 350 #SUP 0.83 #QF 0.77 assign (resid 58 and name HN ) (resid 58 and name HG2 ) 3.49 1.13 1.70 !peak 351 #SUP 0.53 #QF 0.27 assign (resid 59 and name HN ) (resid 59 and name HB* ) 3.09 0.86 1.29 !peak 355 #SUP 0.89 #QF 0.89 assign (resid 59 and name HN ) (resid 62 and name HG ) 4.08 1.52 2.28 !peak 356 #SUP 0.94 #QF 0.94 assign (resid 59 and name HN ) (resid 62 and name HD2* ) 4.01 1.48 2.21 !peak 357 #SUP 0.96 #QF 0.96 assign (resid 59 and name HB* ) (resid 61 and name HE1 ) 3.41 1.08 1.61 !peak 368 #SUP 0.64 #QF 0.64 assign (resid 61 and name HN ) (resid 62 and name HN ) 3.58 1.19 1.78 !peak 370 #SUP 0.83 #QF 0.83 assign (resid 62 and name HN ) (resid 62 and name HB1 ) 3.54 1.16 1.74 !peak 371 #SUP 0.89 #QF 0.89 assign (resid 59 and name HB* ) (resid 62 and name HN ) 3.80 1.33 1.99 !peak 372 #SUP 0.97 #QF 0.97 assign (resid 62 and name HN ) (resid 62 and name HB2 ) 3.54 1.16 1.74 !peak 373 #SUP 1.00 assign (resid 67 and name HN ) (resid 68 and name HN ) 3.39 1.06 1.59 !peak 374 #SUP 0.75 #QF 0.75 assign (resid 67 and name HN ) (resid 67 and name HB2 ) 3.33 1.02 1.53 !peak 377 #SUP 0.95 #QF 0.78 assign (resid 67 and name HN ) (resid 67 and name HB1 ) 3.33 1.02 1.53 !peak 377 #SUP 0.95 #QF 0.78 assign (resid 67 and name HN ) (resid 67 and name HG1 ) 3.88 1.39 2.09 !peak 378 #SUP 0.82 #QF 0.75 assign (resid 67 and name HN ) (resid 67 and name HG2 ) 3.88 1.39 2.09 !peak 379 #SUP 0.97 #QF 0.97 assign (resid 66 and name HD1* ) (resid 67 and name HN ) 4.22 1.61 2.41 !peak 380 #SUP 0.99 #QF 0.67 assign (resid 66 and name HD2* ) (resid 67 and name HN ) 4.51 1.81 2.72 !peak 380 #SUP 0.99 #QF 0.67 assign (resid 63 and name HN ) (resid 64 and name HN ) 3.34 1.02 1.54 !peak 382 #SUP 0.97 #QF 0.97 assign (resid 63 and name HB2 ) (resid 64 and name HN ) 3.84 1.36 2.04 !peak 386 #SUP 0.92 #QF 0.92 assign (resid 64 and name HN ) (resid 64 and name HG1 ) 3.91 1.41 2.11 !peak 388 #SUP 0.88 #QF 0.88 assign (resid 64 and name HN ) (resid 64 and name HG2 ) 3.91 1.41 2.11 !peak 389 #SUP 0.96 #QF 0.96 assign (resid 63 and name HB1 ) (resid 64 and name HN ) 3.84 1.36 2.04 !peak 390 #SUP 0.97 #QF 0.97 assign (resid 64 and name HN ) (resid 65 and name HN ) 3.04 0.83 1.24 !peak 391 #SUP 0.95 #QF 0.95 assign (resid 63 and name HA ) (resid 65 and name HN ) 3.92 1.42 2.12 !peak 395 #SUP 0.87 #QF 0.87 assign (resid 62 and name HA ) (resid 65 and name HN ) 3.65 1.23 1.85 !peak 396 #SUP 0.91 #QF 0.91 assign (resid 65 and name HN ) (resid 65 and name HB2 ) 3.01 0.81 1.22 !peak 397 #SUP 0.99 #QF 0.67 assign (resid 65 and name HN ) (resid 65 and name HB1 ) 3.07 0.85 1.28 !peak 398 #SUP 0.93 #QF 0.93 assign (resid 65 and name HN ) (resid 66 and name HD2* ) 4.45 1.77 2.66 !peak 399 #SUP 0.74 #QF 0.74 assign (resid 65 and name HN ) (resid 66 and name HN ) 3.23 0.96 1.43 !peak 400 #SUP 0.98 #QF 0.98 assign (resid 66 and name HN ) (resid 67 and name HN ) 3.12 0.88 1.32 !peak 401 #SUP 0.98 #QF 0.98 assign (resid 63 and name HA ) (resid 66 and name HN ) 3.81 1.34 2.01 !peak 405 #SUP 0.83 #QF 0.83 assign (resid 62 and name HA ) (resid 66 and name HN ) 3.82 1.35 2.03 !peak 406 #SUP 0.96 #QF 0.96 assign (resid 65 and name HB2 ) (resid 66 and name HN ) 3.13 0.89 1.34 !peak 407 #SUP 0.95 #QF 0.95 assign (resid 66 and name HN ) (resid 66 and name HG ) 2.69 0.60 0.89 !peak 408 #SUP 0.70 #QF 0.70 assign (resid 62 and name HG ) (resid 66 and name HN ) 3.95 1.44 2.15 !peak 410 #SUP 0.99 #QF 0.76 assign (resid 65 and name HD2* ) (resid 66 and name HN ) 4.04 1.49 2.24 !peak 411 #SUP 0.97 #QF 0.97 assign (resid 66 and name HN ) (resid 66 and name HD2* ) 3.13 0.89 1.34 !peak 412 #SUP 0.99 #QF 0.99 assign (resid 61 and name HN ) (resid 63 and name HN ) 3.76 1.31 1.97 !peak 414 #SUP 0.74 #QF 0.74 assign (resid 62 and name HN ) (resid 63 and name HN ) 3.32 1.01 1.51 !peak 415 #SUP 0.91 #QF 0.91 assign (resid 60 and name HA ) (resid 63 and name HN ) 3.86 1.37 2.05 !peak 416 #SUP 0.72 #QF 0.72 assign (resid 63 and name HN ) (resid 63 and name HB2 ) 3.34 1.03 1.55 !peak 420 #SUP 0.99 #QF 0.99 assign (resid 63 and name HN ) (resid 63 and name HB1 ) 3.34 1.03 1.55 !peak 421 #SUP 1.00 assign (resid 62 and name HB1 ) (resid 63 and name HN ) 4.03 1.48 2.23 !peak 422 #SUP 0.76 #QF 0.76 assign (resid 62 and name HB2 ) (resid 63 and name HN ) 4.03 1.48 2.23 !peak 423 #SUP 1.00 assign (resid 67 and name HB2 ) (resid 68 and name HN ) 4.49 1.79 2.68 !peak 428 #SUP 0.99 #QF 0.90 assign (resid 67 and name HB1 ) (resid 68 and name HN ) 4.49 1.79 2.68 !peak 428 #SUP 0.99 #QF 0.90 assign (resid 67 and name HA ) (resid 69 and name HN ) 3.83 1.36 2.03 !peak 430 #SUP 0.51 #QF 0.51 assign (resid 68 and name HB1 ) (resid 69 and name HN ) 3.39 1.06 1.59 !peak 432 #SUP 0.80 #QF 0.80 assign (resid 68 and name HB2 ) (resid 69 and name HN ) 3.39 1.06 1.59 !peak 433 #SUP 0.93 #QF 0.93 assign (resid 69 and name HN ) (resid 69 and name HB ) 3.32 1.01 1.51 !peak 434 #SUP 0.85 #QF 0.85 assign (resid 70 and name HA ) (resid 71 and name HN ) 3.05 0.84 1.25 !peak 441 #SUP 0.78 #QF 0.58 assign (resid 23 and name HN ) (resid 24 and name HN ) 3.53 1.15 1.73 !peak 443 #SUP 0.76 #QF 0.76 assign (resid 27 and name HN ) (resid 28 and name HN ) 3.11 0.88 1.31 !peak 450 #SUP 0.93 #QF 0.88 assign (resid 24 and name HN ) (resid 25 and name HN ) 3.20 0.93 1.39 !peak 451 #SUP 0.87 #QF 0.87 assign (resid 64 and name HN ) (resid 66 and name HN ) 3.80 1.33 2.00 !peak 454 #SUP 0.95 #QF 0.95 assign (resid 41 and name HA ) (resid 42 and name HN ) 2.93 0.75 1.12 !peak 458 #SUP 0.68 #QF 0.68 assign (resid 51 and name HA ) (resid 52 and name HN ) 2.62 0.55 0.83 !peak 460 #SUP 0.99 #QF 0.74 assign (resid 10 and name HB2 ) (resid 11 and name HN ) 3.16 0.90 1.36 !peak 462 #SUP 0.84 #QF 0.84 assign (resid 12 and name HN ) (resid 12 and name HG2 ) 4.33 1.69 2.53 !peak 463 #SUP 0.95 #QF 0.82 assign (resid 12 and name HN ) (resid 12 and name HG1 ) 4.33 1.69 2.53 !peak 463 #SUP 0.95 #QF 0.82 assign (resid 17 and name HB ) (resid 19 and name HN ) 3.32 1.01 1.51 !peak 465 #SUP 0.95 #QF 0.95 assign (resid 22 and name HN ) (resid 47 and name HG2* ) 4.57 1.85 2.78 !peak 466 #SUP 0.82 #QF 0.82 assign (resid 16 and name HB ) (resid 17 and name HN ) 3.13 0.89 1.34 !peak 467 #SUP 0.70 #QF 0.50 assign (resid 79 and name HN ) (resid 79 and name HB2 ) 3.34 1.02 1.54 !peak 467 #SUP 0.70 #QF 0.50 assign (resid 79 and name HN ) (resid 79 and name HB1 ) 3.34 1.02 1.54 !peak 468 #SUP 0.88 #QF 0.88 assign (resid 82 and name HN ) (resid 82 and name HG1* ) 3.91 1.40 2.11 !peak 470 #SUP 0.99 #QF 0.93 assign (resid 82 and name HN ) (resid 82 and name HG2* ) 3.91 1.40 2.11 !peak 470 #SUP 0.99 #QF 0.93 assign (resid 23 and name HN ) (resid 23 and name HB1 ) 3.22 0.95 1.43 !peak 472 #SUP 0.96 #QF 0.96 assign (resid 73 and name HA ) (resid 74 and name HN ) 2.93 0.75 1.13 !peak 473 #SUP 0.82 #QF 0.82 assign (resid 61 and name HN ) (resid 61 and name HD1 ) 3.34 1.03 1.55 !peak 476 #SUP 0.32 #QF 0.32 assign (resid 34 and name HG2 ) (resid 35 and name HN ) 3.60 1.20 1.80 !peak 482 #SUP 0.97 #QF 0.97 assign (resid 76 and name HB2 ) (resid 77 and name HN ) 4.28 1.65 2.47 !peak 484 #SUP 0.91 #QF 0.61 assign (resid 76 and name HB1 ) (resid 77 and name HN ) 4.28 1.65 2.47 !peak 484 #SUP 0.91 #QF 0.61 assign (resid 73 and name HB2 ) (resid 74 and name HN ) 4.07 1.52 2.27 !peak 487 #SUP 0.96 #QF 0.82 assign (resid 73 and name HB1 ) (resid 74 and name HN ) 4.07 1.52 2.27 !peak 487 #SUP 0.96 #QF 0.82 assign (resid 16 and name HN ) (resid 16 and name HG2* ) 3.37 1.05 1.57 !peak 488 #SUP 0.92 #QF 0.54 assign (resid 27 and name HB2 ) (resid 49 and name HN ) 4.39 1.73 2.59 !peak 490 #SUP 0.78 #QF 0.78 assign (resid 47 and name HB ) (resid 49 and name HN ) 2.88 0.72 1.08 !peak 491 #SUP 0.83 #QF 0.83 assign (resid 80 and name HB* ) (resid 81 and name HD2 ) 3.58 1.19 1.78 !peak 3 #SUP 0.99 #QF 0.99 assign (resid 80 and name HB* ) (resid 81 and name HD1 ) 3.58 1.19 1.78 !peak 4 #SUP 1.00 assign (resid 17 and name HB ) (resid 17 and name HD1* ) 2.98 0.79 1.18 !peak 6 #SUP 0.99 #QF 0.99 assign (resid 17 and name HG2* ) (resid 17 and name HD1* ) 2.81 0.67 1.01 !peak 9 #SUP 1.00 assign (resid 21 and name HB ) (resid 53 and name HD1* ) 2.99 0.80 1.19 !peak 10 #SUP 0.98 #QF 0.29 assign (resid 17 and name HG2* ) (resid 19 and name HN ) 3.90 1.40 2.10 !peak 14 #SUP 0.99 #QF 0.99 assign (resid 17 and name HG2* ) (resid 55 and name HA ) 3.97 1.45 2.17 !peak 15 #SUP 0.95 #QF 0.95 assign (resid 17 and name HG2* ) (resid 17 and name HG12 ) 3.02 0.82 1.22 !peak 17 #SUP 1.00 assign (resid 17 and name HG2* ) (resid 17 and name HG11 ) 2.89 0.73 1.09 !peak 18 #SUP 1.00 assign (resid 17 and name HG2* ) (resid 53 and name HG2* ) 2.59 0.53 0.80 !peak 19 #SUP 0.58 #QF 0.58 assign (resid 16 and name HG1* ) (resid 17 and name HN ) 3.64 1.23 1.84 !peak 20 #SUP 0.94 #QF 0.94 assign (resid 16 and name HN ) (resid 16 and name HG1* ) 3.37 1.05 1.57 !peak 21 #SUP 0.98 #QF 0.98 assign (resid 16 and name HA ) (resid 16 and name HG1* ) 3.32 1.01 1.51 !peak 22 #SUP 0.92 #QF 0.92 assign (resid 19 and name HA ) (resid 19 and name HG2* ) 3.14 0.89 1.34 !peak 24 #SUP 0.83 #QF 0.83 assign (resid 77 and name HA ) (resid 77 and name HG2* ) 2.97 0.78 1.17 !peak 26 #SUP 1.00 assign (resid 47 and name HG2* ) (resid 48 and name HN ) 3.31 1.00 1.51 !peak 30 #SUP 0.96 #QF 0.96 assign (resid 47 and name HA ) (resid 47 and name HG2* ) 3.22 0.94 1.42 !peak 31 #SUP 0.99 #QF 0.39 assign (resid 21 and name HG2* ) (resid 47 and name HG2* ) 3.34 1.03 1.55 !peak 36 #SUP 0.98 #QF 0.79 assign (resid 32 and name HA ) (resid 32 and name HG2* ) 3.26 0.97 1.45 !peak 37 #SUP 1.00 assign (resid 41 and name HA ) (resid 41 and name HG2* ) 3.25 0.96 1.45 !peak 39 #SUP 0.99 #QF 0.99 assign (resid 41 and name HG2* ) (resid 57 and name HB1 ) 3.80 1.33 2.00 !peak 43 #SUP 0.45 #QF 0.45 assign (resid 41 and name HG2* ) (resid 57 and name HB2 ) 3.80 1.33 2.00 !peak 44 #SUP 0.92 #QF 0.92 assign (resid 21 and name HA ) (resid 21 and name HG1* ) 3.01 0.81 1.21 !peak 52 #SUP 0.97 #QF 0.97 assign (resid 43 and name HG1* ) (resid 62 and name HD1* ) 3.05 0.84 1.25 !peak 56 #SUP 0.96 #QF 0.79 assign (resid 44 and name HA ) (resid 44 and name HG2* ) 3.55 1.17 1.75 !peak 61 #SUP 0.95 #QF 0.95 assign (resid 21 and name HA ) (resid 21 and name HG2* ) 3.01 0.81 1.21 !peak 62 #SUP 0.91 #QF 0.88 assign (resid 23 and name HA ) (resid 23 and name HD2* ) 3.05 0.83 1.24 !peak 68 #SUP 0.94 #QF 0.94 assign (resid 23 and name HA ) (resid 23 and name HD1* ) 3.05 0.83 1.24 !peak 70 #SUP 0.98 #QF 0.98 assign (resid 25 and name HN ) (resid 25 and name HG2* ) 3.05 0.84 1.25 !peak 72 #SUP 0.89 #QF 0.89 assign (resid 45 and name HA ) (resid 45 and name HG2* ) 3.40 1.07 1.60 !peak 73 #SUP 0.99 #QF 0.99 assign (resid 25 and name HG2* ) (resid 25 and name HG11 ) 2.94 0.76 1.14 !peak 74 #SUP 0.99 #QF 0.99 assign (resid 53 and name HA ) (resid 53 and name HG2* ) 2.87 0.71 1.07 !peak 75 #SUP 0.99 #QF 0.99 assign (resid 51 and name HD1 ) (resid 53 and name HG2* ) 2.78 0.65 0.98 !peak 76 #SUP 0.99 #QF 0.55 assign (resid 17 and name HG12 ) (resid 53 and name HG2* ) 3.41 1.08 1.61 !peak 77 #SUP 0.93 #QF 0.93 assign (resid 53 and name HG2* ) (resid 53 and name HG11 ) 2.93 0.75 1.12 !peak 78 #SUP 0.99 #QF 0.99 assign (resid 31 and name HA ) (resid 31 and name HG2* ) 3.22 0.94 1.42 !peak 80 #SUP 0.93 #QF 0.93 assign (resid 55 and name HA ) (resid 55 and name HG2* ) 3.25 0.96 1.45 !peak 86 #SUP 0.56 #QF 0.56 assign (resid 43 and name HG2* ) (resid 57 and name HA ) 2.98 0.79 1.18 !peak 87 #SUP 0.89 #QF 0.89 assign (resid 52 and name HA ) (resid 52 and name HG2* ) 3.43 1.09 1.64 !peak 92 #SUP 0.98 #QF 0.23 assign (resid 52 and name HA ) (resid 52 and name HG1* ) 3.24 0.96 1.44 !peak 94 #SUP 0.96 #QF 0.96 assign (resid 55 and name HA ) (resid 55 and name HG1* ) 3.25 0.96 1.45 !peak 96 #SUP 1.00 assign (resid 62 and name HA ) (resid 62 and name HD1* ) 3.28 0.99 1.49 !peak 100 #SUP 0.98 #QF 0.98 assign (resid 62 and name HD1* ) (resid 66 and name HD2* ) 3.53 1.15 1.73 !peak 102 #SUP 0.98 #QF 0.89 assign (resid 57 and name HA ) (resid 62 and name HD2* ) 3.31 1.00 1.51 !peak 103 #SUP 0.92 #QF 0.92 assign (resid 62 and name HB1 ) (resid 62 and name HD2* ) 3.57 1.18 1.77 !peak 104 #SUP 0.97 #QF 0.97 assign (resid 43 and name HG2* ) (resid 62 and name HD2* ) 2.93 0.75 1.13 !peak 107 #SUP 0.90 #QF 0.90 assign (resid 43 and name HG1* ) (resid 62 and name HD2* ) 2.94 0.76 1.14 !peak 108 #SUP 0.94 #QF 0.83 assign (resid 61 and name HZ3 ) (resid 65 and name HD1* ) 4.18 1.59 2.39 !peak 112 #SUP 0.73 #QF 0.73 assign (resid 65 and name HA ) (resid 65 and name HD1* ) 3.52 1.15 1.72 !peak 113 #SUP 0.90 #QF 0.90 assign (resid 65 and name HB2 ) (resid 65 and name HD1* ) 3.48 1.12 1.68 !peak 115 #SUP 0.97 #QF 0.41 assign (resid 66 and name HA ) (resid 66 and name HD2* ) 3.00 0.80 1.20 !peak 119 #SUP 0.87 #QF 0.87 assign (resid 66 and name HB1 ) (resid 66 and name HD2* ) 3.13 0.89 1.34 !peak 121 #SUP 0.93 #QF 0.87 assign (resid 62 and name HD2* ) (resid 66 and name HD1* ) 3.43 1.09 1.63 !peak 123 #SUP 0.99 #QF 0.94 assign (resid 74 and name HA ) (resid 74 and name HD2* ) 3.33 1.02 1.53 !peak 126 #SUP 0.88 #QF 0.88 assign (resid 74 and name HB1 ) (resid 74 and name HD2* ) 3.37 1.05 1.57 !peak 127 #SUP 1.00 assign (resid 74 and name HA ) (resid 74 and name HD1* ) 3.33 1.02 1.53 !peak 128 #SUP 0.92 #QF 0.92 assign (resid 26 and name HG2* ) (resid 26 and name HG11 ) 3.20 0.93 1.39 !peak 133 #SUP 0.97 #QF 0.97 assign (resid 66 and name HB2 ) (resid 66 and name HD1* ) 3.26 0.98 1.46 !peak 170 #SUP 0.91 #QF 0.45 assign (resid 51 and name HA ) (resid 51 and name HD2 ) 4.20 1.60 2.40 !peak 189 #SUP 0.93 #QF 0.77 assign (resid 51 and name HA ) (resid 51 and name HD1 ) 4.59 1.86 2.79 !peak 189 #SUP 0.93 #QF 0.77 assign (resid 47 and name HG2* ) (resid 51 and name HD2 ) 3.11 0.87 1.30 !peak 194 #SUP 0.59 #QF 0.46 assign (resid 53 and name HB ) (resid 53 and name HD1* ) 3.18 0.92 1.38 !peak 198 #SUP 1.00 assign (resid 51 and name HB2 ) (resid 52 and name HN ) 4.11 1.54 2.31 !peak 205 #SUP 0.98 #QF 0.38 assign (resid 51 and name HB1 ) (resid 52 and name HN ) 4.11 1.54 2.31 !peak 205 #SUP 0.98 #QF 0.38 assign (resid 21 and name HB ) (resid 26 and name HD1* ) 3.38 1.06 1.58 !peak 209 #SUP 0.70 #QF 0.70 assign (resid 23 and name HG ) (resid 26 and name HG12 ) 3.43 1.09 1.63 !peak 223 #SUP 0.88 #QF 0.88 assign (resid 23 and name HG ) (resid 26 and name HG11 ) 2.92 0.75 1.12 !peak 225 #SUP 0.63 #QF 0.63 assign (resid 43 and name HG2* ) (resid 57 and name HG1 ) 3.91 1.41 2.11 !peak 262 #SUP 0.77 #QF 0.77 assign (resid 49 and name HA ) (resid 49 and name HG2 ) 3.29 1.00 1.49 !peak 333 #SUP 1.00 assign (resid 49 and name HA ) (resid 49 and name HG1 ) 3.29 1.00 1.49 !peak 339 #SUP 1.00 assign (resid 67 and name HA ) (resid 67 and name HD2 ) 3.96 1.44 2.16 !peak 362 #SUP 0.73 #QF 0.25 assign (resid 67 and name HA ) (resid 67 and name HD1 ) 3.96 1.44 2.16 !peak 362 #SUP 0.73 #QF 0.25 assign (resid 80 and name HA ) (resid 81 and name HD2 ) 3.19 0.92 1.39 !peak 376 #SUP 0.97 #QF 0.97 assign (resid 77 and name HA ) (resid 78 and name HD2 ) 3.13 0.89 1.34 !peak 379 #SUP 0.97 #QF 0.97 assign (resid 80 and name HA ) (resid 81 and name HD1 ) 3.19 0.92 1.39 !peak 382 #SUP 0.98 #QF 0.98 assign (resid 77 and name HA ) (resid 78 and name HD1 ) 3.13 0.89 1.34 !peak 389 #SUP 0.95 #QF 0.95 assign (resid 62 and name HB2 ) (resid 62 and name HD2* ) 3.57 1.18 1.77 !peak 402 #SUP 0.95 #QF 0.95 assign (resid 55 and name HB ) (resid 62 and name HD2* ) 3.73 1.29 1.93 !peak 403 #SUP 0.85 #QF 0.85 assign (resid 43 and name HB ) (resid 62 and name HD2* ) 3.62 1.21 1.82 !peak 404 #SUP 1.00 assign (resid 62 and name HA ) (resid 62 and name HD2* ) 3.49 1.13 1.70 !peak 405 #SUP 0.99 #QF 0.99 assign (resid 61 and name HZ2 ) (resid 62 and name HD2* ) 4.48 1.79 2.68 !peak 407 #SUP 0.72 #QF 0.72 assign (resid 62 and name HG ) (resid 66 and name HD1* ) 3.53 1.15 1.72 !peak 409 #SUP 0.88 #QF 0.88 assign (resid 63 and name HA ) (resid 66 and name HD1* ) 3.70 1.27 1.90 !peak 410 #SUP 0.88 #QF 0.88 assign (resid 66 and name HN ) (resid 66 and name HD1* ) 3.91 1.41 2.11 !peak 411 #SUP 1.00 assign (resid 55 and name HG1* ) (resid 61 and name HH2 ) 3.53 1.15 1.72 !peak 414 #SUP 0.91 #QF 0.91 assign (resid 55 and name HG1* ) (resid 61 and name HZ2 ) 3.67 1.25 1.87 !peak 415 #SUP 0.81 #QF 0.81 assign (resid 52 and name HG2* ) (resid 53 and name HN ) 3.64 1.23 1.85 !peak 417 #SUP 0.99 #QF 0.99 assign (resid 20 and name HA ) (resid 20 and name HG2* ) 3.62 1.21 1.82 !peak 418 #SUP 1.00 assign (resid 20 and name HA ) (resid 20 and name HG1* ) 3.62 1.21 1.82 !peak 419 #SUP 1.00 assign (resid 56 and name HB2 ) (resid 59 and name HB* ) 3.85 1.37 2.05 !peak 421 #SUP 0.83 #QF 0.83 assign (resid 56 and name HB1 ) (resid 59 and name HB* ) 3.85 1.37 2.05 !peak 422 #SUP 0.73 #QF 0.73 assign (resid 59 and name HB* ) (resid 62 and name HB1 ) 4.05 1.50 2.25 !peak 423 #SUP 0.90 #QF 0.90 assign (resid 17 and name HA ) (resid 17 and name HG2* ) 3.09 0.86 1.29 !peak 425 #SUP 0.96 #QF 0.96 assign (resid 17 and name HD1* ) (resid 19 and name HG2* ) 3.89 1.40 2.09 !peak 430 #SUP 0.92 #QF 0.92 assign (resid 17 and name HA ) (resid 17 and name HD1* ) 3.50 1.13 1.70 !peak 431 #SUP 0.67 #QF 0.67 assign (resid 17 and name HN ) (resid 17 and name HD1* ) 3.68 1.25 1.88 !peak 433 #SUP 0.95 #QF 0.95 assign (resid 53 and name HA ) (resid 53 and name HD1* ) 3.77 1.31 1.97 !peak 435 #SUP 0.93 #QF 0.93 assign (resid 45 and name HN ) (resid 53 and name HD1* ) 4.03 1.48 2.23 !peak 436 #SUP 0.90 #QF 0.77 assign (resid 53 and name HN ) (resid 53 and name HD1* ) 4.22 1.62 2.42 !peak 436 #SUP 0.90 #QF 0.77 assign (resid 23 and name HA ) (resid 26 and name HD1* ) 3.54 1.16 1.74 !peak 437 #SUP 0.87 #QF 0.45 assign (resid 21 and name HA ) (resid 25 and name HD1* ) 3.69 1.26 1.89 !peak 438 #SUP 0.98 #QF 0.86 assign (resid 26 and name HA ) (resid 26 and name HG2* ) 3.37 1.05 1.57 !peak 441 #SUP 1.00 assign (resid 26 and name HG2* ) (resid 27 and name HA ) 3.47 1.12 1.67 !peak 443 #SUP 0.91 #QF 0.91 assign (resid 53 and name HG2* ) (resid 54 and name HN ) 3.28 0.99 1.49 !peak 446 #SUP 0.78 #QF 0.78 assign (resid 53 and name HN ) (resid 53 and name HG2* ) 3.41 1.08 1.61 !peak 447 #SUP 0.67 #QF 0.67 assign (resid 16 and name HA ) (resid 16 and name HG2* ) 3.32 1.01 1.51 !peak 451 #SUP 0.95 #QF 0.95 assign (resid 16 and name HG2* ) (resid 17 and name HN ) 3.64 1.23 1.84 !peak 452 #SUP 0.98 #QF 0.98 assign (resid 44 and name HG2* ) (resid 45 and name HN ) 3.80 1.33 2.00 !peak 455 #SUP 0.98 #QF 0.98 assign (resid 55 and name HG2* ) (resid 61 and name HH2 ) 3.53 1.15 1.72 !peak 464 #SUP 0.91 #QF 0.91 assign (resid 55 and name HG2* ) (resid 61 and name HZ2 ) 3.67 1.25 1.87 !peak 467 #SUP 0.93 #QF 0.93 assign (resid 21 and name HG1* ) (resid 22 and name HN ) 3.68 1.25 1.88 !peak 472 #SUP 0.99 #QF 0.99 assign (resid 43 and name HG2* ) (resid 44 and name HN ) 3.87 1.38 2.07 !peak 475 #SUP 0.89 #QF 0.89 assign (resid 59 and name HB* ) (resid 62 and name HB2 ) 4.05 1.50 2.25 !peak 480 #SUP 1.00 assign (resid 47 and name HG2* ) (resid 52 and name HN ) 4.95 2.10 3.15 !peak 483 #SUP 0.95 #QF 0.45 assign (resid 47 and name HG2* ) (resid 51 and name HA ) 4.11 1.54 2.31 !peak 487 #SUP 0.84 #QF 0.37 assign (resid 47 and name HG2* ) (resid 52 and name HA ) 4.27 1.65 2.47 !peak 487 #SUP 0.84 #QF 0.37 assign (resid 25 and name HB ) (resid 47 and name HG2* ) 3.97 1.44 2.17 !peak 488 #SUP 0.97 #QF 0.97 assign (resid 41 and name HN ) (resid 41 and name HG2* ) 3.74 1.29 1.94 !peak 491 #SUP 0.98 #QF 0.98 assign (resid 31 and name HA ) (resid 43 and name HG1* ) 3.56 1.17 1.76 !peak 497 #SUP 0.58 #QF 0.58 assign (resid 44 and name HG2* ) (resid 52 and name HG1* ) 3.72 1.28 1.92 !peak 503 #SUP 0.86 #QF 0.86 assign (resid 23 and name HD2* ) (resid 68 and name HB1 ) 4.01 1.48 2.21 !peak 504 #SUP 0.66 #QF 0.66 assign (resid 23 and name HD2* ) (resid 68 and name HB2 ) 4.01 1.48 2.21 !peak 505 #SUP 0.73 #QF 0.73 assign (resid 23 and name HD1* ) (resid 68 and name HB1 ) 4.01 1.48 2.21 !peak 508 #SUP 0.97 #QF 0.97 assign (resid 23 and name HD1* ) (resid 68 and name HB2 ) 4.01 1.48 2.21 !peak 509 #SUP 0.98 #QF 0.98 assign (resid 22 and name HN ) (resid 25 and name HG2* ) 3.95 1.44 2.15 !peak 510 #SUP 0.98 #QF 0.98 assign (resid 24 and name HB1 ) (resid 25 and name HG2* ) 3.83 1.36 2.03 !peak 511 #SUP 0.93 #QF 0.93 assign (resid 24 and name HB2 ) (resid 25 and name HG2* ) 3.83 1.36 2.03 !peak 512 #SUP 0.99 #QF 0.99 assign (resid 53 and name HG2* ) (resid 53 and name HG12 ) 2.93 0.75 1.12 !peak 513 #SUP 0.79 #QF 0.79 assign (resid 53 and name HG2* ) (resid 53 and name HD1* ) 2.61 0.54 0.81 !peak 514 #SUP 0.93 #QF 0.93 assign (resid 44 and name HG1* ) (resid 45 and name HN ) 3.80 1.33 2.00 !peak 515 #SUP 0.99 #QF 0.99 assign (resid 44 and name HA ) (resid 44 and name HG1* ) 3.55 1.17 1.75 !peak 516 #SUP 1.00 assign (resid 61 and name HZ3 ) (resid 62 and name HD1* ) 4.45 1.77 2.66 !peak 519 #SUP 0.83 #QF 0.51 assign (resid 61 and name HH2 ) (resid 62 and name HD1* ) 4.67 1.92 2.87 !peak 519 #SUP 0.83 #QF 0.51 assign (resid 62 and name HD1* ) (resid 66 and name HG ) 3.65 1.23 1.85 !peak 520 #SUP 0.89 #QF 0.89 assign (resid 61 and name HZ3 ) (resid 65 and name HD2* ) 4.18 1.59 2.39 !peak 523 #SUP 0.86 #QF 0.81 assign (resid 65 and name HA ) (resid 65 and name HD2* ) 3.52 1.15 1.72 !peak 524 #SUP 0.97 #QF 0.97 assign (resid 65 and name HD1* ) (resid 66 and name HN ) 4.04 1.49 2.24 !peak 527 #SUP 0.99 #QF 0.99 assign (resid 47 and name HG2* ) (resid 53 and name HD1* ) 2.78 0.65 0.97 !peak 542 #SUP 0.92 #QF 0.92 assign (resid 62 and name HD1* ) (resid 65 and name HD2* ) 3.82 1.35 2.02 !peak 544 #SUP 0.94 #QF 0.90 assign (resid 46 and name HA ) (resid 52 and name HG1* ) 3.81 1.34 2.01 !peak 546 #SUP 0.52 #QF 0.52 assign (resid 46 and name HD1 ) (resid 52 and name HG1* ) 4.27 1.65 2.47 !peak 547 #SUP 0.97 #QF 0.94 assign (resid 46 and name HH2 ) (resid 52 and name HG1* ) 4.61 1.87 2.80 !peak 547 #SUP 0.97 #QF 0.94 assign (resid 62 and name HD1* ) (resid 65 and name HB2 ) 3.82 1.35 2.03 !peak 550 #SUP 0.96 #QF 0.96 assign (resid 62 and name HD1* ) (resid 65 and name HB1 ) 3.96 1.44 2.16 !peak 551 #SUP 0.98 #QF 0.90 assign (resid 57 and name HA ) (resid 62 and name HD1* ) 4.40 1.73 2.60 !peak 552 #SUP 0.92 #QF 0.92 assign (resid 66 and name HB2 ) (resid 66 and name HD2* ) 3.13 0.89 1.34 !peak 553 #SUP 0.88 #QF 0.88 assign (resid 66 and name HB1 ) (resid 66 and name HD1* ) 3.26 0.98 1.46 !peak 554 #SUP 1.00 #QF 0.81 assign (resid 26 and name HG2* ) (resid 26 and name HG12 ) 3.12 0.88 1.32 !peak 557 #SUP 0.87 #QF 0.87 assign (resid 64 and name HN ) (resid 65 and name HB2 ) 4.11 1.54 2.31 !peak 560 #SUP 0.82 #QF 0.82 assign (resid 17 and name HN ) (resid 17 and name HG12 ) 3.62 1.21 1.82 !peak 572 #SUP 0.98 #QF 0.98 assign (resid 17 and name HN ) (resid 17 and name HG11 ) 3.52 1.15 1.72 !peak 573 #SUP 1.00 #QF 0.99 assign (resid 34 and name HG1 ) (resid 35 and name HN ) 4.19 1.60 2.39 !peak 574 #SUP 0.73 #QF 0.73 assign (resid 25 and name HN ) (resid 25 and name HG12 ) 3.61 1.21 1.82 !peak 581 #SUP 0.98 #QF 0.93 assign (resid 66 and name HN ) (resid 67 and name HB2 ) 4.95 2.10 3.15 !peak 593 #SUP 0.90 #QF 0.60 assign (resid 66 and name HN ) (resid 67 and name HB1 ) 4.95 2.10 3.15 !peak 593 #SUP 0.90 #QF 0.60 assign (resid 51 and name HN ) (resid 51 and name HD2 ) 4.05 1.50 2.25 !peak 596 #SUP 0.88 #QF 0.88 assign (resid 21 and name HB ) (resid 61 and name HZ3 ) 4.29 1.66 2.49 !peak 614 #SUP 0.94 #QF 0.25 assign (resid 21 and name HB ) (resid 61 and name HH2 ) 4.45 1.77 2.65 !peak 614 #SUP 0.94 #QF 0.25 assign (resid 53 and name HN ) (resid 53 and name HB ) 3.50 1.13 1.70 !peak 672 #SUP 0.93 #QF 0.93 assign (resid 67 and name HN ) (resid 67 and name HD2 ) 4.95 2.10 3.15 !peak 685 #SUP 0.87 #QF 0.58 assign (resid 67 and name HN ) (resid 67 and name HD1 ) 4.95 2.10 3.15 !peak 685 #SUP 0.87 #QF 0.58 assign (resid 27 and name HN ) (resid 27 and name HB2 ) 3.50 1.13 1.70 !peak 687 #SUP 0.89 #QF 0.89 assign (resid 45 and name HG2* ) (resid 47 and name HG2* ) 3.03 0.82 1.23 !peak 708 #SUP 0.49 #QF 0.49 assign (resid 25 and name HG2* ) (resid 25 and name HG12 ) 2.94 0.76 1.14 !peak 709 #SUP 0.91 #QF 0.91 assign (resid 25 and name HG2* ) (resid 49 and name HE* ) 3.26 0.97 1.45 !peak 712 #SUP 0.79 #QF 0.79 assign (resid 26 and name HD1* ) (resid 27 and name HA ) 4.71 1.94 2.91 !peak 713 #SUP 0.88 #QF 0.88 assign (resid 25 and name HD1* ) (resid 47 and name HB ) 3.43 1.09 1.64 !peak 714 #SUP 0.96 #QF 0.96 assign (resid 25 and name HA ) (resid 25 and name HD1* ) 3.61 1.21 1.82 !peak 715 #SUP 0.69 #QF 0.69 assign (resid 25 and name HD1* ) (resid 49 and name HE* ) 3.36 1.04 1.56 !peak 717 #SUP 0.80 #QF 0.80 assign (resid 26 and name HB ) (resid 26 and name HD1* ) 3.19 0.92 1.39 !peak 719 #SUP 0.97 #QF 0.97 assign (resid 45 and name HD1* ) (resid 62 and name HA ) 4.39 1.73 2.60 !peak 721 #SUP 0.99 #QF 0.98 assign (resid 29 and name HB ) (resid 29 and name HD1* ) 3.05 0.83 1.24 !peak 722 #SUP 0.81 #QF 0.54 assign (resid 49 and name HA ) (resid 49 and name HE* ) 4.02 1.48 2.22 !peak 724 #SUP 1.00 assign (resid 12 and name HA ) (resid 12 and name HD2 ) 4.65 1.90 2.85 !peak 739 #SUP 0.95 #QF 0.68 assign (resid 12 and name HA ) (resid 12 and name HD1 ) 4.65 1.90 2.85 !peak 739 #SUP 0.95 #QF 0.68 assign (resid 17 and name HD1* ) (resid 19 and name HB ) 3.90 1.40 2.10 !peak 753 #SUP 0.86 #QF 0.86 assign (resid 16 and name HA ) (resid 17 and name HG11 ) 4.07 1.52 2.27 !peak 755 #SUP 0.96 #QF 0.48 assign (resid 23 and name HA ) (resid 26 and name HG2* ) 3.68 1.25 1.88 !peak 797 #SUP 0.69 #QF 0.69 assign (resid 23 and name HA ) (resid 25 and name HN ) 4.86 2.04 3.06 !peak 799 #SUP 1.00 #QF 0.98 assign (resid 51 and name HD2 ) (resid 52 and name HN ) 4.24 1.63 2.45 !peak 812 #SUP 0.85 #QF 0.51 assign (resid 24 and name HB1 ) (resid 25 and name HN ) 4.35 1.70 2.55 !peak 823 #SUP 0.94 #QF 0.86 assign (resid 24 and name HB2 ) (resid 25 and name HN ) 4.35 1.70 2.55 !peak 824 #SUP 0.92 #QF 0.88 assign (resid 25 and name HB ) (resid 47 and name HB ) 3.91 1.40 2.11 !peak 826 #SUP 1.00 assign (resid 26 and name HA ) (resid 47 and name HA ) 3.90 1.40 2.10 !peak 831 #SUP 0.89 #QF 0.89 assign (resid 26 and name HA ) (resid 26 and name HD1* ) 3.75 1.30 1.95 !peak 833 #SUP 1.00 #QF 0.99 assign (resid 25 and name HD1* ) (resid 47 and name HG2* ) 2.69 0.60 0.89 !peak 836 #SUP 0.85 #QF 0.85 assign (resid 23 and name HG ) (resid 26 and name HD1* ) 3.94 1.43 2.14 !peak 839 #SUP 0.85 #QF 0.75 assign (resid 45 and name HB ) (resid 45 and name HD1* ) 3.16 0.91 1.36 !peak 840 #SUP 0.99 #QF 0.99 assign (resid 25 and name HB ) (resid 25 and name HD1* ) 2.94 0.76 1.14 !peak 841 #SUP 0.98 #QF 0.98 assign (resid 57 and name HG2 ) (resid 58 and name HA ) 3.97 1.44 2.17 !peak 854 #SUP 0.29 #QF 0.29 assign (resid 41 and name HB ) (resid 57 and name HG1 ) 3.55 1.17 1.76 !peak 859 #SUP 0.81 #QF 0.23 assign (resid 29 and name HA ) (resid 29 and name HG2* ) 3.39 1.06 1.59 !peak 862 #SUP 0.97 #QF 0.97 assign (resid 26 and name HG2* ) (resid 27 and name HN ) 3.32 1.02 1.52 !peak 863 #SUP 0.84 #QF 0.84 assign (resid 27 and name HB2 ) (resid 48 and name HA ) 3.53 1.15 1.73 !peak 864 #SUP 0.86 #QF 0.86 assign (resid 29 and name HD1* ) (resid 65 and name HD1* ) 3.63 1.22 1.83 !peak 870 #SUP 0.53 #QF 0.53 assign (resid 43 and name HB ) (resid 57 and name HA ) 3.88 1.39 2.09 !peak 874 #SUP 0.91 #QF 0.91 assign (resid 31 and name HA ) (resid 31 and name HG1* ) 3.22 0.94 1.42 !peak 886 #SUP 0.69 #QF 0.46 assign (resid 40 and name HN ) (resid 40 and name HG1 ) 4.10 1.54 2.30 !peak 906 #SUP 0.98 #QF 0.98 assign (resid 40 and name HN ) (resid 40 and name HG2 ) 4.10 1.54 2.30 !peak 907 #SUP 0.91 #QF 0.91 assign (resid 21 and name HG1* ) (resid 47 and name HG2* ) 3.34 1.03 1.55 !peak 917 #SUP 0.68 #QF 0.68 assign (resid 60 and name HA ) (resid 60 and name HD2 ) 4.65 1.90 2.85 !peak 933 #SUP 0.77 #QF 0.56 assign (resid 60 and name HA ) (resid 60 and name HD1 ) 4.65 1.90 2.85 !peak 933 #SUP 0.77 #QF 0.56 assign (resid 51 and name HD1 ) (resid 53 and name HA ) 3.65 1.23 1.85 !peak 936 #SUP 0.28 #QF 0.28 assign (resid 23 and name HA ) (resid 26 and name HG12 ) 3.20 0.94 1.40 !peak 946 #SUP 1.00 #QF 0.55 assign (resid 47 and name HG2* ) (resid 53 and name HG2* ) 3.19 0.92 1.39 !peak 954 #SUP 0.92 #QF 0.92 assign (resid 17 and name HB ) (resid 53 and name HG2* ) 3.48 1.12 1.68 !peak 955 #SUP 0.96 #QF 0.96 assign (resid 48 and name HN ) (resid 48 and name HD2 ) 4.95 2.10 3.15 !peak 994 #SUP 0.93 #QF 0.77 assign (resid 48 and name HN ) (resid 48 and name HD1 ) 4.95 2.10 3.15 !peak 994 #SUP 0.93 #QF 0.77 assign (resid 62 and name HA ) (resid 65 and name HB1 ) 4.37 1.71 2.57 !peak 1001 #SUP 1.00 #QF 0.99 assign (resid 62 and name HA ) (resid 65 and name HG ) 4.75 1.97 2.95 !peak 1001 #SUP 1.00 #QF 0.99 assign (resid 29 and name HG2* ) (resid 62 and name HD1* ) 3.56 1.17 1.76 !peak 1012 #SUP 0.95 #QF 0.71 assign (resid 62 and name HD1* ) (resid 66 and name HD1* ) 3.85 1.37 2.05 !peak 1012 #SUP 0.95 #QF 0.71 assign (resid 45 and name HD1* ) (resid 62 and name HD1* ) 3.05 0.84 1.25 !peak 1013 #SUP 0.50 #QF 0.21 assign (resid 65 and name HB2 ) (resid 65 and name HD2* ) 3.48 1.12 1.68 !peak 1023 #SUP 0.84 #QF 0.84 assign (resid 62 and name HA ) (resid 65 and name HB2 ) 3.81 1.34 2.01 !peak 1027 #SUP 0.97 #QF 0.97 assign (resid 29 and name HD1* ) (resid 65 and name HD2* ) 3.63 1.22 1.83 !peak 1029 #SUP 0.98 #QF 0.78 assign (resid 62 and name HD1* ) (resid 65 and name HD1* ) 3.82 1.35 2.02 !peak 1031 #SUP 0.87 #QF 0.87 assign (resid 45 and name HB ) (resid 53 and name HD1* ) 3.35 1.04 1.55 !peak 1035 #SUP 0.58 #QF 0.58 assign (resid 65 and name HA ) (resid 68 and name HB1 ) 3.94 1.43 2.14 !peak 1041 #SUP 0.90 #QF 0.90 assign (resid 65 and name HA ) (resid 68 and name HB2 ) 3.94 1.43 2.14 !peak 1042 #SUP 0.76 #QF 0.76 assign (resid 67 and name HA ) (resid 70 and name HB1 ) 3.76 1.31 1.96 !peak 1048 #SUP 0.59 #QF 0.59 assign (resid 67 and name HA ) (resid 70 and name HB2 ) 3.76 1.31 1.96 !peak 1049 #SUP 0.74 #QF 0.74 assign (resid 74 and name HB2 ) (resid 74 and name HD2* ) 3.37 1.05 1.57 !peak 1050 #SUP 0.99 #QF 0.68 assign (resid 74 and name HB2 ) (resid 74 and name HD1* ) 3.37 1.05 1.57 !peak 1052 #SUP 0.95 #QF 0.49 assign (resid 74 and name HB1 ) (resid 74 and name HD1* ) 3.37 1.05 1.57 !peak 1052 #SUP 0.95 #QF 0.49 assign (resid 79 and name HA ) (resid 80 and name HB* ) 3.87 1.38 2.07 !peak 1064 #SUP 0.94 #QF 0.94 assign (resid 20 and name HG2* ) (resid 61 and name HB2 ) 4.45 1.77 2.66 !peak 1076 #SUP 0.98 #QF 0.98 assign (resid 20 and name HG2* ) (resid 61 and name HB1 ) 4.45 1.77 2.66 !peak 1077 #SUP 0.99 #QF 0.99 assign (resid 20 and name HG1* ) (resid 61 and name HB2 ) 4.45 1.77 2.66 !peak 1079 #SUP 0.97 #QF 0.97 assign (resid 20 and name HG1* ) (resid 61 and name HB1 ) 4.45 1.77 2.66 !peak 1080 #SUP 0.97 #QF 0.97 assign (resid 17 and name HD1* ) (resid 18 and name HA ) 4.00 1.47 2.20 !peak 1084 #SUP 0.78 #QF 0.78 assign (resid 17 and name HD1* ) (resid 55 and name HA ) 4.72 1.94 2.92 !peak 1085 #SUP 0.98 #QF 0.98 assign (resid 17 and name HD1* ) (resid 19 and name HA ) 4.18 1.59 2.39 !peak 1086 #SUP 0.98 #QF 0.98 assign (resid 59 and name HB* ) (resid 61 and name HN ) 4.32 1.68 2.52 !peak 1089 #SUP 0.98 #QF 0.93 assign (resid 59 and name HB* ) (resid 60 and name HN ) 4.24 1.63 2.45 !peak 1090 #SUP 0.98 #QF 0.98 assign (resid 59 and name HB* ) (resid 62 and name HD2* ) 3.87 1.38 2.07 !peak 1091 #SUP 1.00 #QF 0.96 assign (resid 17 and name HG12 ) (resid 55 and name HA ) 4.04 1.49 2.24 !peak 1092 #SUP 0.94 #QF 0.94 assign (resid 17 and name HG11 ) (resid 55 and name HA ) 4.61 1.88 2.81 !peak 1093 #SUP 0.97 #QF 0.54 assign (resid 17 and name HG12 ) (resid 19 and name HN ) 4.35 1.70 2.55 !peak 1094 #SUP 0.94 #QF 0.94 assign (resid 45 and name HD1* ) (resid 61 and name HZ2 ) 3.42 1.08 1.62 !peak 1096 #SUP 0.99 #QF 0.95 assign (resid 29 and name HD1* ) (resid 62 and name HD1* ) 3.64 1.23 1.84 !peak 1098 #SUP 0.56 #QF 0.56 assign (resid 25 and name HA ) (resid 25 and name HG2* ) 2.86 0.71 1.06 !peak 1100 #SUP 0.84 #QF 0.84 assign (resid 25 and name HG2* ) (resid 47 and name HB ) 4.35 1.70 2.55 !peak 1101 #SUP 0.96 #QF 0.96 assign (resid 17 and name HN ) (resid 17 and name HG2* ) 3.25 0.96 1.45 !peak 1102 #SUP 0.96 #QF 0.94 assign (resid 28 and name HA ) (resid 29 and name HD1* ) 4.28 1.65 2.47 !peak 1103 #SUP 0.35 #QF 0.35 assign (resid 29 and name HA ) (resid 29 and name HD1* ) 4.03 1.48 2.23 !peak 1104 #SUP 0.62 #QF 0.62 assign (resid 26 and name HG2* ) (resid 26 and name HD1* ) 2.56 0.50 0.76 !peak 1105 #SUP 0.69 #QF 0.69 assign (resid 29 and name HG2* ) (resid 30 and name HA ) 3.92 1.42 2.12 !peak 1106 #SUP 0.89 #QF 0.84 assign (resid 26 and name HG2* ) (resid 28 and name HA ) 3.74 1.29 1.94 !peak 1107 #SUP 0.66 #QF 0.66 assign (resid 26 and name HG2* ) (resid 47 and name HA ) 4.11 1.54 2.31 !peak 1108 #SUP 0.85 #QF 0.85 assign (resid 29 and name HG2* ) (resid 31 and name HN ) 3.74 1.29 1.94 !peak 1109 #SUP 0.78 #QF 0.78 assign (resid 17 and name HG12 ) (resid 53 and name HD1* ) 4.24 1.63 2.45 !peak 1110 #SUP 0.96 #QF 0.96 assign (resid 45 and name HG2* ) (resid 53 and name HD1* ) 3.11 0.88 1.31 !peak 1111 #SUP 0.77 #QF 0.66 assign (resid 45 and name HD1* ) (resid 53 and name HD1* ) 3.24 0.96 1.44 !peak 1111 #SUP 0.77 #QF 0.66 assign (resid 17 and name HB ) (resid 53 and name HD1* ) 4.47 1.78 2.67 !peak 1112 #SUP 0.94 #QF 0.94 assign (resid 52 and name HA ) (resid 53 and name HD1* ) 4.48 1.79 2.68 !peak 1114 #SUP 0.87 #QF 0.87 assign (resid 47 and name HB ) (resid 53 and name HD1* ) 4.65 1.90 2.85 !peak 1115 #SUP 0.96 #QF 0.96 assign (resid 52 and name HA ) (resid 53 and name HG2* ) 3.71 1.27 1.91 !peak 1119 #SUP 0.85 #QF 0.85 assign (resid 26 and name HA ) (resid 45 and name HG2* ) 3.82 1.35 2.02 !peak 1120 #SUP 0.68 #QF 0.68 assign (resid 45 and name HG2* ) (resid 46 and name HA ) 4.24 1.63 2.44 !peak 1121 #SUP 0.96 #QF 0.62 assign (resid 45 and name HG2* ) (resid 47 and name HA ) 4.52 1.81 2.72 !peak 1121 #SUP 0.96 #QF 0.62 assign (resid 29 and name HD1* ) (resid 65 and name HB2 ) 3.94 1.42 2.14 !peak 1123 #SUP 0.98 #QF 0.36 assign (resid 29 and name HD1* ) (resid 65 and name HB1 ) 3.76 1.31 1.96 !peak 1124 #SUP 0.99 #QF 0.76 assign (resid 44 and name HG1* ) (resid 52 and name HG1* ) 3.72 1.28 1.92 !peak 1128 #SUP 0.90 #QF 0.90 assign (resid 27 and name HB2 ) (resid 48 and name HG1 ) 4.63 1.89 2.84 !peak 1132 #SUP 0.92 #QF 0.92 assign (resid 28 and name HB2 ) (resid 46 and name HB2 ) 4.95 2.10 3.15 !peak 1133 #SUP 0.97 #QF 0.83 assign (resid 28 and name HB1 ) (resid 46 and name HB2 ) 4.95 2.10 3.15 !peak 1133 #SUP 0.97 #QF 0.83 assign (resid 28 and name HB2 ) (resid 46 and name HB1 ) 4.95 2.10 3.15 !peak 1134 #SUP 0.97 #QF 0.81 assign (resid 28 and name HB1 ) (resid 46 and name HB1 ) 4.95 2.10 3.15 !peak 1134 #SUP 0.97 #QF 0.81 assign (resid 25 and name HB ) (resid 48 and name HG1 ) 4.29 1.66 2.49 !peak 1142 #SUP 0.97 #QF 0.42 assign (resid 25 and name HB ) (resid 48 and name HG2 ) 4.29 1.66 2.49 !peak 1143 #SUP 0.77 #QF 0.47 assign (resid 27 and name HB2 ) (resid 48 and name HG2 ) 4.63 1.89 2.84 !peak 1143 #SUP 0.77 #QF 0.47 assign (resid 50 and name HN ) (resid 50 and name HE2 ) 4.95 2.10 3.15 !peak 1151 #SUP 1.00 #QF 0.99 assign (resid 50 and name HN ) (resid 50 and name HE1 ) 4.95 2.10 3.15 !peak 1151 #SUP 1.00 #QF 0.99 assign (resid 2 and name HN ) (resid 2 and name HB* ) 2.76 0.64 0.96 !peak 4 assign (resid 2 and name HN ) (resid 2 and name HD* ) 3.25 0.96 1.45 !peak 2 assign (resid 2 and name HB* ) (resid 3 and name HN ) 3.47 1.11 1.66 !peak 10 assign (resid 2 and name HD* ) (resid 3 and name HN ) 3.65 1.23 1.85 !peak 11 assign (resid 3 and name HN ) (resid 3 and name HB* ) 2.72 0.62 0.92 !peak 8 assign (resid 3 and name HN ) (resid 3 and name HG* ) 3.19 0.92 1.39 !peak 7 assign (resid 3 and name HB* ) (resid 4 and name HN ) 3.07 0.85 1.27 !peak 14 assign (resid 3 and name HG* ) (resid 4 and name HN ) 3.86 1.37 2.05 !peak 13 assign (resid 6 and name HB* ) (resid 7 and name HN ) 3.53 1.15 1.73 !peak 21 assign (resid 8 and name HB* ) (resid 9 and name HN ) 3.51 1.14 1.71 !peak 30 assign (resid 9 and name HN ) (resid 9 and name HB* ) 2.89 0.73 1.09 !peak 31 assign (resid 9 and name HN ) (resid 9 and name HD* ) 3.61 1.21 1.81 !peak 33 assign (resid 9 and name HB* ) (resid 10 and name HN ) 3.65 1.23 1.85 !peak 39 assign (resid 9 and name HD* ) (resid 10 and name HN ) 3.90 1.40 2.10 !peak 38 assign (resid 10 and name HN ) (resid 10 and name HB* ) 3.22 0.94 1.42 !peak 40 assign (resid 10 and name HN ) (resid 10 and name HG* ) 3.26 0.97 1.45 !peak 37 assign (resid 10 and name HG* ) (resid 11 and name HN ) 3.88 1.38 2.08 !peak 47 assign (resid 11 and name HN ) (resid 11 and name HB* ) 2.77 0.64 0.97 !peak 44 assign (resid 11 and name HN ) (resid 38 and name HB* ) 3.21 0.94 1.41 !peak 45 assign (resid 11 and name HA ) (resid 38 and name HB* ) 4.45 1.77 2.66 !peak 889 assign (resid 11 and name HB* ) (resid 12 and name HN ) 3.28 0.98 1.48 !peak 51 assign (resid 12 and name HN ) (resid 12 and name HB* ) 3.07 0.85 1.27 !peak 471 assign (resid 12 and name HN ) (resid 12 and name HG* ) 3.67 1.25 1.87 !peak 463 assign (resid 12 and name HA ) (resid 12 and name HG* ) 3.25 0.96 1.45 !peak 1038 assign (resid 12 and name HA ) (resid 12 and name HD* ) 4.01 1.48 2.21 !peak 739 assign (resid 12 and name HB* ) (resid 13 and name HN ) 3.26 0.98 1.46 !peak 464 assign (resid 13 and name HN ) (resid 13 and name HB* ) 2.90 0.73 1.10 !peak 57 assign (resid 15 and name HA* ) (resid 16 and name HN ) 2.58 0.52 0.78 !peak 64 assign (resid 16 and name HN ) (resid 16 and name HG* ) 2.66 0.57 0.86 !peak 488 assign (resid 16 and name HG* ) (resid 17 and name HN ) 3.20 0.94 1.40 !peak 20 assign (resid 16 and name HG* ) (resid 54 and name HB* ) 4.24 1.63 2.45 !peak 481 assign (resid 17 and name HN ) (resid 55 and name HG* ) 3.68 1.25 1.88 !peak 71 assign (resid 17 and name HG12 ) (resid 55 and name HG* ) 3.34 1.03 1.55 !peak 173 assign (resid 18 and name HB* ) (resid 19 and name HN ) 3.59 1.19 1.78 !peak 83 assign (resid 19 and name HA ) (resid 20 and name HG* ) 4.04 1.50 2.24 !peak 1078 assign (resid 20 and name HN ) (resid 20 and name HG* ) 3.18 0.92 1.38 !peak 96 assign (resid 20 and name HG* ) (resid 21 and name HN ) 3.76 1.31 1.97 !peak 496 assign (resid 20 and name HG* ) (resid 21 and name HG* ) 4.14 1.56 2.34 !peak 499 assign (resid 20 and name HG* ) (resid 61 and name HB* ) 3.47 1.12 1.67 !peak 1076 assign (resid 20 and name HG* ) (resid 61 and name HE3 ) 4.29 1.66 2.49 !peak 1074 assign (resid 20 and name HG* ) (resid 61 and name HE1 ) 4.26 1.64 2.46 !peak 480 assign (resid 21 and name HG* ) (resid 22 and name HN ) 2.86 0.71 1.06 !peak 102 assign (resid 21 and name HG* ) (resid 22 and name HA* ) 3.51 1.14 1.71 !peak 463 assign (resid 21 and name HG* ) (resid 24 and name HN ) 4.63 1.88 2.83 !peak 114 assign (resid 21 and name HG* ) (resid 25 and name HN ) 3.59 1.19 1.78 !peak 468 assign (resid 21 and name HG* ) (resid 25 and name HA ) 4.63 1.89 2.84 !peak 501 assign (resid 21 and name HG* ) (resid 25 and name HB ) 3.68 1.25 1.88 !peak 64 assign (resid 21 and name HG* ) (resid 25 and name HG1* ) 3.05 0.83 1.24 !peak 66 assign (resid 21 and name HG* ) (resid 25 and name HD1* ) 2.51 0.48 0.71 !peak 787 assign (resid 21 and name HG* ) (resid 26 and name HN ) 4.24 1.63 2.44 !peak 469 assign (resid 21 and name HG* ) (resid 26 and name HG12 ) 3.11 0.88 1.31 !peak 784 assign (resid 21 and name HG* ) (resid 26 and name HD1* ) 2.75 0.63 0.95 !peak 787 assign (resid 21 and name HG* ) (resid 47 and name HA ) 4.00 1.46 2.20 !peak 461 assign (resid 21 and name HG* ) (resid 47 and name HG2* ) 2.86 0.71 1.06 !peak 36 assign (resid 21 and name HG* ) (resid 48 and name HN ) 4.24 1.63 2.44 !peak 262 assign (resid 21 and name HG* ) (resid 53 and name HG1* ) 3.53 1.15 1.73 !peak 498 assign (resid 21 and name HG* ) (resid 53 and name HD1* ) 2.87 0.71 1.07 !peak 13 assign (resid 21 and name HG* ) (resid 61 and name HE1 ) 4.60 1.87 2.80 !peak 481 assign (resid 21 and name HG* ) (resid 61 and name HZ3 ) 4.26 1.64 2.46 !peak 790 assign (resid 21 and name HG* ) (resid 61 and name HZ2 ) 3.50 1.13 1.70 !peak 470 assign (resid 21 and name HG* ) (resid 61 and name HH2 ) 3.30 1.00 1.50 !peak 50 assign (resid 22 and name HN ) (resid 25 and name HG1* ) 3.61 1.21 1.82 !peak 101 assign (resid 22 and name HA* ) (resid 23 and name HN ) 2.72 0.62 0.92 !peak 444 assign (resid 22 and name HA* ) (resid 24 and name HN ) 3.16 0.91 1.36 !peak 109 assign (resid 22 and name HA* ) (resid 25 and name HD1* ) 3.21 0.94 1.41 !peak 437 assign (resid 23 and name HN ) (resid 23 and name HB* ) 2.87 0.71 1.07 !peak 472 assign (resid 23 and name HN ) (resid 23 and name HD* ) 3.88 1.39 2.09 !peak 106 assign (resid 23 and name HA ) (resid 23 and name HD* ) 2.72 0.62 0.92 !peak 70 assign (resid 23 and name HA ) (resid 65 and name HD* ) 3.34 1.02 1.54 !peak 114 assign (resid 23 and name HB* ) (resid 23 and name HD* ) 2.59 0.52 0.79 !peak 815 assign (resid 23 and name HB* ) (resid 24 and name HN ) 3.02 0.82 1.22 !peak 111 assign (resid 23 and name HB* ) (resid 25 and name HN ) 4.39 1.73 2.59 !peak 120 assign (resid 23 and name HB* ) (resid 65 and name HD* ) 3.41 1.08 1.61 !peak 117 assign (resid 23 and name HG ) (resid 65 and name HD* ) 2.87 0.71 1.07 !peak 116 assign (resid 23 and name HD* ) (resid 26 and name HB ) 3.38 1.05 1.58 !peak 818 assign (resid 23 and name HD* ) (resid 26 and name HG12 ) 3.87 1.38 2.07 !peak 819 assign (resid 23 and name HD* ) (resid 65 and name HB2 ) 3.77 1.31 1.97 !peak 507 assign (resid 23 and name HD* ) (resid 65 and name HD* ) 2.95 0.77 1.15 !peak 817 assign (resid 24 and name HN ) (resid 25 and name HG1* ) 3.82 1.35 2.02 !peak 112 assign (resid 24 and name HB* ) (resid 25 and name HG2* ) 3.38 1.06 1.58 !peak 511 assign (resid 25 and name HN ) (resid 25 and name HG1* ) 3.11 0.88 1.31 !peak 121 assign (resid 25 and name HG2* ) (resid 25 and name HG1* ) 2.59 0.53 0.80 !peak 74 assign (resid 25 and name HG2* ) (resid 49 and name HG* ) 4.81 2.00 3.01 !peak 1140 assign (resid 25 and name HD1* ) (resid 48 and name HB* ) 4.24 1.63 2.45 !peak 839 assign (resid 25 and name HD1* ) (resid 49 and name HG* ) 4.81 2.00 3.01 !peak 1140 assign (resid 26 and name HA ) (resid 65 and name HD* ) 4.89 2.06 3.09 !peak 525 assign (resid 26 and name HG2* ) (resid 65 and name HD* ) 3.43 1.09 1.64 !peak 439 assign (resid 27 and name HB2 ) (resid 48 and name HB* ) 4.19 1.60 2.39 !peak 865 assign (resid 27 and name HB2 ) (resid 48 and name HG* ) 4.00 1.47 2.20 !peak 1132 assign (resid 28 and name HN ) (resid 46 and name HB* ) 3.36 1.04 1.56 !peak 141 assign (resid 28 and name HB* ) (resid 29 and name HN ) 3.55 1.17 1.76 !peak 149 assign (resid 28 and name HB* ) (resid 46 and name HN ) 4.16 1.57 2.36 !peak 237 assign (resid 28 and name HB* ) (resid 46 and name HB* ) 3.70 1.27 1.91 !peak 1133 assign (resid 28 and name HG* ) (resid 29 and name HN ) 3.78 1.32 1.98 !peak 150 assign (resid 29 and name HG2* ) (resid 29 and name HG1* ) 2.98 0.79 1.18 !peak 199 assign (resid 29 and name HG2* ) (resid 45 and name HG1* ) 3.33 1.02 1.53 !peak 442 assign (resid 29 and name HG1* ) (resid 30 and name HN ) 4.19 1.60 2.39 !peak 159 assign (resid 29 and name HG1* ) (resid 65 and name HG ) 3.43 1.09 1.64 !peak 242 assign (resid 29 and name HD1* ) (resid 65 and name HD* ) 3.11 0.87 1.30 !peak 870 assign (resid 30 and name HN ) (resid 30 and name HG* ) 3.72 1.28 1.92 !peak 157 assign (resid 30 and name HN ) (resid 44 and name HG* ) 4.54 1.83 2.74 !peak 459 assign (resid 30 and name HB* ) (resid 44 and name HN ) 3.82 1.35 2.02 !peak 220 assign (resid 30 and name HG* ) (resid 31 and name HN ) 3.64 1.23 1.85 !peak 165 assign (resid 30 and name HG* ) (resid 44 and name HN ) 3.95 1.44 2.15 !peak 221 assign (resid 31 and name HN ) (resid 31 and name HG* ) 3.42 1.08 1.62 !peak 163 assign (resid 31 and name HA ) (resid 31 and name HG* ) 2.81 0.67 1.01 !peak 886 assign (resid 31 and name HG* ) (resid 32 and name HN ) 3.42 1.08 1.62 !peak 173 assign (resid 31 and name HG* ) (resid 41 and name HG2* ) 2.98 0.79 1.18 !peak 885 assign (resid 31 and name HG* ) (resid 42 and name HN ) 3.87 1.38 2.07 !peak 210 assign (resid 31 and name HG* ) (resid 43 and name HG1* ) 2.65 0.57 0.85 !peak 55 assign (resid 31 and name HG* ) (resid 43 and name HG2* ) 2.72 0.61 0.91 !peak 789 assign (resid 32 and name HN ) (resid 42 and name HB* ) 4.40 1.73 2.60 !peak 170 assign (resid 33 and name HB* ) (resid 34 and name HD* ) 3.29 1.00 1.49 !peak 929 assign (resid 38 and name HN ) (resid 38 and name HB* ) 3.14 0.89 1.34 !peak 190 assign (resid 40 and name HN ) (resid 40 and name HB* ) 3.02 0.82 1.22 !peak 195 assign (resid 40 and name HN ) (resid 40 and name HG* ) 3.61 1.21 1.81 !peak 906 assign (resid 40 and name HB* ) (resid 41 and name HN ) 3.29 1.00 1.49 !peak 202 assign (resid 40 and name HD* ) (resid 41 and name HN ) 4.42 1.75 2.62 !peak 201 assign (resid 41 and name HG2* ) (resid 57 and name HB* ) 3.18 0.92 1.38 !peak 43 assign (resid 42 and name HB* ) (resid 43 and name HN ) 3.48 1.12 1.68 !peak 213 assign (resid 42 and name HB* ) (resid 44 and name HG* ) 3.72 1.28 1.92 !peak 913 assign (resid 42 and name HG* ) (resid 43 and name HN ) 3.61 1.21 1.81 !peak 212 assign (resid 43 and name HN ) (resid 44 and name HG* ) 3.59 1.19 1.79 !peak 58 assign (resid 43 and name HN ) (resid 55 and name HG* ) 3.75 1.30 1.95 !peak 518 assign (resid 43 and name HB ) (resid 55 and name HG* ) 3.11 0.88 1.31 !peak 413 assign (resid 43 and name HG1* ) (resid 55 and name HG* ) 2.82 0.68 1.02 !peak 55 assign (resid 44 and name HN ) (resid 44 and name HG* ) 3.36 1.04 1.56 !peak 223 assign (resid 44 and name HG* ) (resid 45 and name HN ) 3.29 1.00 1.49 !peak 515 assign (resid 44 and name HG* ) (resid 46 and name HD1 ) 3.93 1.42 2.13 !peak 1129 assign (resid 44 and name HG* ) (resid 46 and name HE1 ) 3.58 1.19 1.78 !peak 243 assign (resid 44 and name HG* ) (resid 52 and name HA ) 4.89 2.06 3.09 !peak 501 assign (resid 44 and name HG* ) (resid 52 and name HB ) 4.53 1.82 2.73 !peak 786 assign (resid 44 and name HG* ) (resid 52 and name HG1* ) 3.20 0.94 1.40 !peak 1128 assign (resid 44 and name HG* ) (resid 53 and name HN ) 3.83 1.36 2.03 !peak 323 assign (resid 44 and name HG* ) (resid 54 and name HA ) 3.88 1.39 2.09 !peak 500 assign (resid 44 and name HG* ) (resid 54 and name HB* ) 3.85 1.37 2.05 !peak 63 assign (resid 45 and name HN ) (resid 45 and name HG1* ) 3.57 1.18 1.77 !peak 227 assign (resid 45 and name HN ) (resid 53 and name HG1* ) 3.86 1.37 2.05 !peak 570 assign (resid 45 and name HA ) (resid 53 and name HG1* ) 4.29 1.66 2.49 !peak 1093 assign (resid 46 and name HN ) (resid 46 and name HB* ) 3.20 0.93 1.39 !peak 235 assign (resid 46 and name HB* ) (resid 47 and name HN ) 3.62 1.21 1.82 !peak 247 assign (resid 47 and name HG2* ) (resid 51 and name HB* ) 3.19 0.92 1.39 !peak 33 assign (resid 47 and name HG2* ) (resid 51 and name HG* ) 4.09 1.52 2.29 !peak 34 assign (resid 47 and name HG2* ) (resid 53 and name HG1* ) 4.30 1.67 2.51 !peak 34 assign (resid 48 and name HN ) (resid 48 and name HB* ) 2.82 0.68 1.02 !peak 257 assign (resid 48 and name HN ) (resid 48 and name HG* ) 3.01 0.81 1.21 !peak 259 assign (resid 48 and name HN ) (resid 48 and name HD* ) 4.36 1.71 2.56 !peak 994 assign (resid 48 and name HB* ) (resid 48 and name HD* ) 2.91 0.74 1.11 !peak 216 assign (resid 49 and name HN ) (resid 49 and name HB* ) 2.88 0.72 1.08 !peak 275 assign (resid 49 and name HA ) (resid 50 and name HG* ) 4.22 1.61 2.41 !peak 992 assign (resid 49 and name HB* ) (resid 50 and name HN ) 3.43 1.09 1.63 !peak 293 assign (resid 49 and name HG* ) (resid 50 and name HN ) 4.12 1.54 2.32 !peak 289 assign (resid 50 and name HN ) (resid 50 and name HB* ) 3.03 0.82 1.23 !peak 292 assign (resid 50 and name HN ) (resid 50 and name HG* ) 3.59 1.19 1.78 !peak 295 assign (resid 50 and name HN ) (resid 50 and name HD* ) 3.43 1.09 1.64 !peak 294 assign (resid 50 and name HA ) (resid 50 and name HG* ) 3.23 0.96 1.43 !peak 993 assign (resid 50 and name HB* ) (resid 50 and name HD* ) 2.95 0.77 1.15 !peak 213 assign (resid 50 and name HG* ) (resid 50 and name HE* ) 2.95 0.77 1.15 !peak 156 assign (resid 50 and name HG* ) (resid 51 and name HN ) 4.53 1.82 2.73 !peak 583 assign (resid 51 and name HN ) (resid 51 and name HB* ) 2.94 0.76 1.14 !peak 303 assign (resid 51 and name HN ) (resid 51 and name HG* ) 3.76 1.31 1.97 !peak 582 assign (resid 51 and name HB* ) (resid 52 and name HN ) 3.60 1.20 1.80 !peak 205 assign (resid 51 and name HG* ) (resid 51 and name HE* ) 2.76 0.64 0.96 !peak 352 assign (resid 51 and name HG* ) (resid 53 and name HG2* ) 3.34 1.02 1.54 !peak 1117 assign (resid 51 and name HE* ) (resid 53 and name HG2* ) 3.88 1.38 2.08 !peak 1118 assign (resid 51 and name HE* ) (resid 53 and name HD1* ) 4.52 1.81 2.72 !peak 1113 assign (resid 53 and name HN ) (resid 53 and name HG1* ) 3.34 1.03 1.55 !peak 320 assign (resid 53 and name HG2* ) (resid 53 and name HG1* ) 2.53 0.49 0.74 !peak 513 assign (resid 54 and name HN ) (resid 54 and name HB* ) 3.11 0.87 1.30 !peak 326 assign (resid 54 and name HN ) (resid 55 and name HG* ) 3.97 1.44 2.17 !peak 329 assign (resid 54 and name HB* ) (resid 55 and name HG* ) 4.69 1.92 2.89 !peak 957 assign (resid 55 and name HN ) (resid 55 and name HG* ) 3.20 0.94 1.40 !peak 335 assign (resid 55 and name HG* ) (resid 61 and name HZ2 ) 3.27 0.98 1.47 !peak 415 assign (resid 55 and name HG* ) (resid 62 and name HD1* ) 3.48 1.12 1.68 !peak 544 assign (resid 55 and name HG* ) (resid 62 and name HD2* ) 3.28 0.98 1.48 !peak 106 assign (resid 56 and name HB* ) (resid 59 and name HB* ) 3.38 1.05 1.58 !peak 422 assign (resid 57 and name HB* ) (resid 58 and name HN ) 3.48 1.12 1.68 !peak 349 assign (resid 57 and name HD* ) (resid 58 and name HN ) 3.81 1.34 2.01 !peak 347 assign (resid 58 and name HN ) (resid 58 and name HB* ) 2.99 0.80 1.19 !peak 350 assign (resid 58 and name HN ) (resid 58 and name HG* ) 3.10 0.87 1.30 !peak 351 assign (resid 58 and name HA ) (resid 58 and name HD* ) 3.47 1.12 1.67 !peak 362 assign (resid 58 and name HB* ) (resid 58 and name HD* ) 2.84 0.69 1.04 !peak 363 assign (resid 59 and name HB* ) (resid 62 and name HB* ) 3.41 1.07 1.61 !peak 423 assign (resid 60 and name HA ) (resid 60 and name HD* ) 4.09 1.52 2.29 !peak 933 assign (resid 60 and name HA ) (resid 63 and name HB* ) 3.70 1.27 1.90 !peak 1018 assign (resid 60 and name HB* ) (resid 60 and name HD* ) 2.93 0.75 1.13 !peak 978 assign (resid 60 and name HB* ) (resid 61 and name HN ) 3.59 1.19 1.79 !peak 365 assign (resid 61 and name HE3 ) (resid 65 and name HD* ) 3.36 1.04 1.56 !peak 111 assign (resid 61 and name HZ3 ) (resid 65 and name HD* ) 3.05 0.84 1.25 !peak 112 assign (resid 61 and name HH2 ) (resid 65 and name HD* ) 4.72 1.94 2.92 !peak 523 assign (resid 62 and name HN ) (resid 62 and name HB* ) 3.07 0.85 1.27 !peak 371 assign (resid 62 and name HA ) (resid 65 and name HD* ) 3.41 1.08 1.61 !peak 530 assign (resid 62 and name HB* ) (resid 63 and name HN ) 3.39 1.06 1.59 !peak 422 assign (resid 62 and name HD1* ) (resid 65 and name HD* ) 3.27 0.98 1.47 !peak 1031 assign (resid 63 and name HN ) (resid 63 and name HB* ) 2.99 0.80 1.19 !peak 420 assign (resid 63 and name HN ) (resid 63 and name HG* ) 3.15 0.90 1.35 !peak 419 assign (resid 63 and name HB* ) (resid 64 and name HN ) 3.35 1.04 1.55 !peak 386 assign (resid 64 and name HN ) (resid 64 and name HB* ) 2.87 0.71 1.07 !peak 387 assign (resid 64 and name HN ) (resid 64 and name HG* ) 3.33 1.02 1.53 !peak 388 assign (resid 64 and name HN ) (resid 65 and name HD* ) 3.90 1.40 2.10 !peak 528 assign (resid 64 and name HB* ) (resid 65 and name HN ) 3.75 1.30 1.95 !peak 595 assign (resid 65 and name HN ) (resid 65 and name HD* ) 3.91 1.41 2.11 !peak 529 assign (resid 65 and name HA ) (resid 65 and name HD* ) 2.88 0.72 1.08 !peak 113 assign (resid 65 and name HD* ) (resid 66 and name HN ) 3.55 1.17 1.75 !peak 527 assign (resid 65 and name HD* ) (resid 68 and name HB* ) 3.40 1.07 1.60 !peak 531 assign (resid 66 and name HN ) (resid 66 and name HB* ) 3.07 0.85 1.27 !peak 409 assign (resid 66 and name HA ) (resid 69 and name HG* ) 3.23 0.96 1.43 !peak 888 assign (resid 66 and name HB* ) (resid 66 and name HD1* ) 2.91 0.74 1.11 !peak 170 assign (resid 66 and name HB* ) (resid 67 and name HN ) 3.45 1.10 1.65 !peak 378 assign (resid 66 and name HB* ) (resid 69 and name HG* ) 3.51 1.14 1.71 !peak 45 assign (resid 66 and name HD2* ) (resid 69 and name HG* ) 3.13 0.89 1.34 !peak 1127 assign (resid 67 and name HN ) (resid 67 and name HB* ) 2.92 0.75 1.12 !peak 377 assign (resid 67 and name HN ) (resid 67 and name HG* ) 3.47 1.12 1.67 !peak 379 assign (resid 67 and name HN ) (resid 67 and name HD* ) 4.34 1.69 2.54 !peak 685 assign (resid 67 and name HA ) (resid 67 and name HG* ) 3.14 0.89 1.34 !peak 211 assign (resid 67 and name HA ) (resid 69 and name HG* ) 3.70 1.27 1.91 !peak 492 assign (resid 67 and name HA ) (resid 70 and name HB* ) 3.25 0.96 1.45 !peak 1048 assign (resid 67 and name HB* ) (resid 67 and name HD* ) 2.95 0.77 1.15 !peak 359 assign (resid 67 and name HB* ) (resid 69 and name HN ) 4.81 2.00 3.01 !peak 593 assign (resid 69 and name HN ) (resid 69 and name HG* ) 3.13 0.88 1.33 !peak 435 assign (resid 69 and name HG* ) (resid 70 and name HN ) 3.62 1.21 1.82 !peak 440 assign (resid 70 and name HN ) (resid 70 and name HB* ) 3.09 0.86 1.29 !peak 438 assign (resid 70 and name HB* ) (resid 71 and name HN ) 3.75 1.30 1.95 !peak 442 assign (resid 71 and name HN ) (resid 71 and name HB* ) 3.22 0.95 1.43 !peak 486 assign (resid 73 and name HB* ) (resid 74 and name HN ) 3.55 1.17 1.76 !peak 487 assign (resid 74 and name HN ) (resid 74 and name HB* ) 2.84 0.69 1.04 !peak 448 assign (resid 74 and name HA ) (resid 74 and name HD* ) 2.73 0.62 0.93 !peak 126 assign (resid 74 and name HB* ) (resid 74 and name HD* ) 2.38 0.38 0.58 !peak 1052 assign (resid 74 and name HD* ) (resid 75 and name HN ) 3.90 1.40 2.10 !peak 489 assign (resid 75 and name HN ) (resid 75 and name HB* ) 3.17 0.92 1.37 !peak 485 assign (resid 76 and name HB* ) (resid 77 and name HN ) 3.67 1.25 1.87 !peak 484 assign (resid 77 and name HN ) (resid 78 and name HD* ) 4.30 1.67 2.50 !peak 484 assign (resid 77 and name HA ) (resid 78 and name HD* ) 2.81 0.67 1.01 !peak 389 assign (resid 77 and name HG2* ) (resid 78 and name HD* ) 3.29 1.00 1.49 !peak 28 assign (resid 78 and name HB* ) (resid 79 and name HN ) 3.44 1.10 1.64 !peak 8 assign (resid 79 and name HN ) (resid 79 and name HG* ) 3.95 1.44 2.15 !peak 7 assign (resid 79 and name HB* ) (resid 80 and name HN ) 3.48 1.12 1.68 !peak 11 assign (resid 80 and name HA ) (resid 81 and name HD* ) 2.83 0.69 1.03 !peak 376 assign (resid 80 and name HB* ) (resid 81 and name HD* ) 3.08 0.86 1.28 !peak 3 assign (resid 81 and name HA ) (resid 82 and name HG* ) 4.89 2.06 3.09 !peak 535 assign (resid 82 and name HN ) (resid 82 and name HG* ) 3.44 1.10 1.64 !peak 470 assign (resid 84 and name HN ) (resid 84 and name HB* ) 3.22 0.95 1.43 !peak 24 assign (resid 84 and name HB* ) (resid 85 and name HN ) 3.66 1.24 1.86 !peak 27 assign (resid 85 and name HN ) (resid 85 and name HB* ) 3.11 0.88 1.31 !peak 26 assign (resid 85 and name HN ) (resid 85 and name HG* ) 3.81 1.34 2.01 !peak 28 assign (resid 85 and name HB* ) (resid 86 and name HN ) 3.78 1.32 1.98 !peak 33 assign (resid 86 and name HN ) (resid 86 and name HB* ) 3.21 0.94 1.41 !peak 30 assign (resid 11 and name SG ) (resid 38 and name SG ) 2.10 0.20 0.30 ! assign (resid 11 and name SG ) (resid 38 and name CB ) 2.85 0.70 1.05 ! assign (resid 11 and name CB ) (resid 38 and name SG ) 2.85 0.70 1.05 ! assign (resid 13 and name SG ) (resid 54 and name SG ) 2.10 0.20 0.30 ! assign (resid 13 and name SG ) (resid 54 and name CB ) 2.85 0.70 1.05 ! assign (resid 13 and name CB ) (resid 54 and name SG ) 2.85 0.70 1.05 !
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